BDMAEE – Page 134

Decahydrocarbon quaternary ammonium bromide

Published by BDMAEE on 2024-03-18 | Permalink

Structural formula

Business number	05KP
Molecular formula	C16H38N2Br2
Molecular weight	418.29
label	N,N,N,N’,N’,N’-hexamethyl-1,10-decyl ammonium dibromide, Decamonium bromide, Decanediamine bromide, Decanediamine bromide, Decamethylene bis(trimethylammonium bromide), 1,10-Decanediaminium,N,N,N,N’,N’,N’-hexamethyl-,dibromide

Numbering system

CAS number:541-22-0

MDL number:MFCD00011779

EINECS number:208-772-2

RTECS number:BP5950000

BRN number:None

PubChem ID:None

Physical property data

1. Character: White crystal

2. Density (g/ cm³, 25/4℃): Undetermined

3. Relative Steam density (g/cm³, air=1): Undetermined

4. Melting point (ºC, decomposition): 268～270

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 8kPa): Undetermined

7. Refractive index: Undetermined

8 . Flash point (ºC): Not determined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Not determined

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11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 55.1ºC): Undetermined

13. Heat of combustion ( KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. The logarithmic value of the oil-water (octanol/water) distribution coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Easily soluble in water and ethanol, very slightly soluble in chloroform, almost insoluble in ether.

Toxicological data

1. Acute toxicity: Rat intraperitoneal LD50: 2900 ug/kg, no details except lethal dose;

Mouse oral LD50: 190mg/kg, dyspnea;

Mouse intraperitoneal LD50: 900ug/kg, no detailed instructions except the lethal dose;

Mouse subcutaneous LD50: 4 mg/kg, no detailed instructions except the lethal dose;

Mouse intravenous LD50: 630ug/kg, no details except lethal dose;

Cat intravenous LD50: 35ug/kg, dyspnea;

Rabbit Intravenous LD50: 125ug/kg, dyspnea;

2. Other multiple dose toxicity data: rat intraperitoneal LD50: 75 mg/kg/5W-I, ataxia;

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

None yet

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP):

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 11

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 0

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 164

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters : 0

14. The number of uncertain stereocenters of chemical bonds: 0

15. The number of covalent bond units: 3

Properties and stability

White crystal. Hygroscopic. Easily soluble in water and ethanol, very slightly soluble in chloroform, almost insoluble in ether. Melting point: 268~270℃ (decomposition). poisonous. Irritating.

Use and store according to specifications. It will not decompose and avoid contact with oxides.

Storage method

Stored in a cool, dry and well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from acids and food chemicals, and avoid mixed storage. Suitable materials should be available in the storage area to contain spills.

Synthesis method

None yet

Purpose

For biochemical research. Ion pair chromatography reagents. medicine.

cis-4-methyl-2-pentene

Published by BDMAEE on 2024-03-18 | Permalink

Structural formula

Business number	079H
Molecular formula	C6H12
Molecular weight	84.16
label	aliphatic compounds

Numbering system

CAS number:691-38-3

MDL number:MFCD00009293

EINECS number:211-721-7

RTECS number:None

BRN number:1719114

PubChem ID:None

Physical property data

1. Properties: colorless liquid.

2. Density (g/mL, 25/4℃): 0.67

3. Relative vapor density (g/mL, air=1): 2.904. Melting point (ºC): -134.4

5. Boiling point (ºC, normal pressure): 58

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index (n²⁰_D)： _1.38

8. Flash point (ºC): -33

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol) : Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol /water) logarithmic value of the distribution coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V) : Undetermined

19. Solubility: Not soluble in water.

Toxicological data

None yet

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1. Molar refractive index: 29.86

2. Molar volume (cm³/mol): 121.5

3. Isotonic specific volume (90.2K ): 255.4

4. Surface tension (dyne/cm): 19.4

5. Dielectric constant: 2.55

6. Dipole moment (10^-24cm³):

7. Polarizability: 11.83

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.4

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 42

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain atomic stereocenterNumber of centers: 0

13. Determine the number of stereocenters of chemical bonds: 1

14. Uncertain number of stereocenters of chemical bonds: 0

15. Covalent Number of key units: 1

Properties and stability

1. Keep away from oxides and strong acids.

2. Exist in smoke.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 30℃. They should be stored separately from oxidants and acids, and avoid mixed storage.

Synthesis method

None yet

Purpose

Used for organic synthesis.

trans-3-methyl-2-pentene

Published by BDMAEE on 2024-03-18 | Permalink

Structural formula

Business number	06H3
Molecular formula	C6H12
Molecular weight	84.16
label	trans-3-methyl-2-pentene, 1-ethyl-1,2-dimethylethylene, 3-Methyl-2-pentene

Numbering system

CAS number:616-12-6

MDL number:MFCD00009334

EINECS number:210-465-3

RTECS number:None

BRN number:1718856

PubChem number:24885826

Physical property data

1. Physical property data
1. Melting point (ºC): 70-72ºC

2. Density: 0.698 g/mL at 25 °C(lit

3. Refractive index:n20/D 1.405(lit.)

4. Flash Point (ºC):20 °F

Toxicological data

None yet

Ecological data

3. Ecological data:

1. Other harmful effects: This substance may be harmful to the environment and should be harmful to water bodies. Give special attention.

Molecular structure data

5. Molecular property data:

1, Molar refractive index:29.74

2, Molar volume ( m³/mol):120.9

3, Isotonic specific volume (90.2K ):254.2

4, Surface tension (dyne/ cm):19.5

5、 Polarizability (10^-24cm³): 11.79

Compute chemical data

4. Calculated chemical data:

1. Reference value for hydrophobic parameter calculation ( XlogP): 2.7

2. Number of hydrogen bond donors:0

3. Number of hydrogen bond acceptors:0

4. Number of rotatable chemical bonds:1

5. Topological molecule polar surface area (TPSA ): 0

6. Number of heavy atoms:6

7. Surface charge: 0

8. Complexity:51.1

9. Isotope atoms Quantity: 0

10. Determine atoms Number of stereocenters:0

11. Not sure Number of atomic stereocenters:0

12. Determine chemical bonds Number of stereocenters:1

13. Not sure Number of stereocenters of chemical bonds:0

14. Covalent Number of key units:1

Properties and stability

Properties and stability:

No decomposition products may occur under normal temperatures and pressures.

Storage method

Storage:

Seal the secret container and store it in a sealed main container in a cool place Dry position.

Synthesis method

None yet

Purpose

None yet

3-hydroxy-2-butanone

Published by BDMAEE on 2024-03-18 | Permalink

Structural formula

Business number	05B1
Molecular formula	C4H8O2
Molecular weight	88.11
label	Acetyl methyl carbinol, Acetoin, Acetyl methyl carbinol, 2,3-Butanolone

Numbering system

CAS number:513-86-0

MDL number:MFCD00004521

EINECS number:208-174-1

RTECS number:EL8790000

BRN number:385636

PubChem ID:None

Physical property data

1. Properties: The dimer is a white crystalline powder, and the monomer is a colorless or light yellow liquid with a pleasant creamy aroma.

2. Density (g/ cm³, 25/4℃): 1.013

3. Relative density (20℃, 4℃): 1.0101

4. Melting point (ºC): 15

5. Boiling point (ºC, normal pressure): 148

6. Refractive index at room temperature (n²⁰): 1.4141

7. Refractive index _(n²⁰_D): 1.417

8. Flash point (ºC): 50

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. The logarithmic value of the oil-water (octanol/water) partition coefficient: Undetermined

17. The upper explosion limit (%, V/V): Undetermined

18. The lower explosion limit (%, V/V): Undetermined

19. Solubility: Miscible in water, soluble in ethanol and propylene glycol, slightly soluble in ether, almost insoluble in vegetable oil.

Toxicological data

1. Skin/eye irritation data: Standard Draize test rabbit direct contact with skin: 500mg/24HREACTION SEVERITY: moderate;

2. Acute toxicity: rat oral LD50: >5gm/kg, No details except lethal dose;

Rat subcutaneous LDLo: 14gm/kg, peripheral nerve and sensory – flaccid paralysis without anesthesia (usually neuromuscular blockade), behavior – convulsion or epilepsy;

Rabbit transdermal LD50: >5gm/kg, no details except lethal dose;

Rat oral TDLo: 66 gm/kg/13W-C, liver weight Changes in blood – normocytic nutritional anemia and total metabolism – weight loss or reduced weight gain;

3. Reproductive toxicity: rat DOSE Oral TDLo: 42 days before male mating: 12600mg/kg SEX/DURATION, effects

The father’s testicles, epididymis, and sperm ducts.

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1. Molar refractive index: 22.10

2. Molar volume (cm³/mol): 89.5

3. Isotonic specific volume (90.2K ): 210.4

4. Surface tension (dyne/cm): 30.4

5. Polarizability (10^-24cm³): 8.76

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.3

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

p>

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 3

6. Topological molecule polar surface area 37.3

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 58.6

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Use and store according to specifications. It will not decompose and avoid contact with oxides.

2. Exist in flue-cured tobacco leaves, burley tobacco leaves, oriental tobacco leaves and smoke.

3. Naturally found in cream, cocoa, wine and strawberries.

Storage method

Stored at 2-8°C in a cool, dry, well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from acids and food chemicals, and avoid mixed storage. Suitable materials should be available in the storage area to contain spills.

Synthesis method

1. Obtained from the reduction of diacetyl.

2. Tobacco: FC, BU, OR, 40; FC, 40.

Purpose

1. This product has a milk aroma and is a permitted edible spice according to my country’s GB2760-86. It is mainly used to prepare cream, dairy products, yogurt and strawberry-type noon essences, and is also used in organic synthesis. 2. It can be used to prepare 2,3-butanedione, which is used to prepare flavors such as cream, dairy products, yogurt and strawberry.

p-iodonitrobenzene

Published by BDMAEE on 2024-03-18 | Permalink

Structural formula

Business number	070C
Molecular formula	C6H4INO2
Molecular weight	249.01
label	4-nitroiodobenzene, 4-iodonitrobenzene, p-nitroiodobenzene, 4-Iodonitrobenzene, p-Iodonitrobenzene, 4-Iodonitrobenzene, p-Iodonitrobenzene

Numbering system

CAS number:636-98-6

MDL number:MFCD00007299

EINECS number:211-272-7

RTECS number:None

BRN number:1100378

PubChem number:24896164

Physical property data

1. Characteristics: yellow powder.

2. Density (g/mL,25/4℃):

3. Relative vapor density (g/mL,AIR=1): Undetermined

4. Melting point (ºC): 172-177

5. Boiling point (ºC,Normal pressure): 288-290

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive Index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa,25ºC): Undetermined

12. Saturated vapor pressure (kPa,60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of partition coefficient (water): Undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Insoluble in water, soluble in ethanol and ether.

Toxicological data

None yet

Ecological data

If it is slightly harmful to water, do not Allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems. Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 45.70

2. Molar volume (m³/mol）：123.3

3. Isotonic specific volume (90.2K):338.3

4. Surface Tension (dyne/cm):56.6

5. Polarizability（10^-24cm³):18.11

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 45.8

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 126

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Keep away from oxides, light.

Storage method

Stored in Seal the container and place in a cool, dry place. The storage place must be away from oxidants and protected from light.

Synthesis method

None yet

Purpose

for Organic Synthesis.

2,3-butanediol

Published by BDMAEE on 2024-03-18 | Permalink

Structural formula

Business number	05B0
Molecular formula	C4H10O2
Molecular weight	90.12
label	2,3-Dihydroxybutane, butanediol, 2,3-Butylene glycol, β,γ-Butylene glycol, 2,3-Dihydroxybutane, humidifier, plasticizer, coupling agent, alcohol solvent

Numbering system

CAS number:513-85-9

MDL number:MFCD00004523

EINECS number:208-173-6

RTECS number:EK0532000

BRN number:969165

PubChem number:24851392

Physical property data

1. Properties: Colorless viscous liquid, crystals at low temperatures.

2. Boiling point (ºC, 2.13kPa): 89 (meso)

3. Boiling point (ºC, 98.9kPa): 181.7 (meso)

p>

4. Boiling point (ºC, 2.13kPa): 86 (racemate)

5. Boiling point (ºC, 98.9kPa): 176.7 (racemate)

6. Boiling point (ºC, 101.3kPa): 229.2(+)

7. Boiling point (ºC): 183~184

8. Melting point (ºC): 34.2~ 34.4 (meso)

9. Melting point (ºC): 25

10. Relative density (g/mL, 25/4ºC): 0.9939 (meso)

11. Relative density (g/mL, 25/4ºC): 0.9872(+)

12. Relative density (g/mL, 25/4ºC): 0.9869(-)

13. Refractive index (35ºC): 1.4324 (meso)

14. Refractive index (25ºC): 1.4310 (racemate)

15. Refractive index (25ºC): 1.4306(+)

16. Refractive index (25ºC): 1.4308(-)

17. Viscosity (mPa·s, 25ºC): 121(-)

18. Viscosity (mPa·s, 35ºC): 90(-)

19. Solubility: Miscible with water, soluble in alcohol and ether.

20. Melting point (ºC): 19

21. Boiling point (ºC): 180.7

22. Relative density (20℃, 4℃): 0.995

23. The refractive index at room temperature (n²⁰): 1.433

24. The refractive index at room temperature (n²⁵): 1.432

25. Solubility parameter (J·cm^-3)^0.5: 25.950

26. van der Waals area ( cm²·mol^-1): 8.300×10⁹

27. van der Waals volume (cm³·mol^-1): 56.980

28. Gas phase standard combustion heat (enthalpy) (kJ·mol^-1): -2520.9

29. Gas phase standard claimed heat (enthalpy) (kJ·mol^{– 1}): -482.3

30. Liquid phase standard combustion heat (enthalpy) (kJ·mol^-1): -2461.7

31. Liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -541.5

32. Liquid phase standard heat melt (J·mol^-1·K^-1): 221.7

33. Flash point (ºC): 85

Toxicological data

Acute toxicity: Mouse intraperitoneal LD50: 6075mg/kg, no details except lethal dose; Mouse oral LD50: 9080mg/kg

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1. Molar refractive index: 23.56

2. Molar volume (cm³/mol): 90.3

3. Isotonic specific volume (90.2K ): 219.5

4. Surface tension (dyne/cm): 34.8

5. Polarizability (10^-24cm³): 9.34

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 40.5

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 30.5

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 2

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Use and store according to specifications. It will not decompose and avoid contact with oxides. Flammable liquids. It is hygroscopic and does not corrode metal.

2. Avoid inhalation; avoid contact with eyes, skin and clothing. It is hygroscopic and sensitive to air. Store in a dry and cool place under nitrogen protection.

Storage method

This product should be sealed and stored in a cool, dry place. Store in a cool, dry, well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from acids and food chemicals, and avoid mixed storage. Suitable materials should be available in the storage area to contain spills.

Synthesis method

1. It is produced by biological fermentation using sugar, molasses, malt slurry or alcohol mother liquor as raw materials. When sugar is fermented to produce alcohol and then vinegar, the by-product acetaldehyde can also be used to produce 2,3-butanediol under the action of yeast.

2. 2,3-Butanediol uses sulfuric acid as a catalyst and reacts with acetic acid at 140-150°C for 2 hours to generate 2,3-butanediol diacetate, which can be added to cream. Can be used as hygroscopic agent, plasticizer and coupling agent. 2,3-Butanediol is also used as a solvent and a raw material for synthetic resins.

3. Tobacco: FC, 9.

Purpose

1. 2,3-butanediol uses sulfuric acid as a catalyst and reacts with acetic acid at 140-150°C for 2 hours to generate 2,3-butanediol diacetate, which can be added to cream or used as a hygroscopic agent. , plasticizers and coupling agents. 2,3-Butanediol is also used as a solvent and a raw material for synthetic resins.

Tangeretin

Published by BDMAEE on 2024-03-18 | Permalink

Structural formula

Business number	052A
Molecular formula	C20H20O7
Molecular weight	372.37
label	Hesperetin, 5,6,7,8,4′-Pentamethoxyflavone, 5,6,7,8-Tetramethoxy-2-(4-methoxyphenyl)-4-benzopyrone

Numbering system

CAS number:481-53-8

MDL number:MFCD00017438

EINECS number:207-570-1

RTECS number:DJ3102725

BRN number:None

PubChem ID:None

Physical property data

1. Character: Undetermined

2. Density (g/ m³,25/4℃): Undetermined

3. Relative steam Density (g/cm³,AIR=1): Undetermined

4. Melting point (ºC): Undetermined

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash Point (ºC): Undetermined

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa,25ºC): Undetermined

12. Saturated vapor pressure (kPa,60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of water) partition coefficient: Undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Undetermined

Toxicological data

Acute toxicity: Rat intraperitoneal LD50: >1gm/kg, No details other than lethal dose;

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1、 Molar refractive index:97.59

2、 Molar volume（m³/mol)：299.2

3、 Isotonic specific volume (90.2K):768.8

4、 Surface tension（dyne/cm）：43.5

5、 Polarizability(10^-24cm³）：38.69

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 7

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: none

6. Topological molecule polar surface area 72.4

7. Number of heavy atoms: 27

8. Surface charge: 0

9. Complexity: 540

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Save in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.

Synthesis method

None yet

Purpose

None yet

4,4′-diethoxyazobenzene

Published by BDMAEE on 2024-03-18 | Permalink

Structural formula

Business number	05ZG
Molecular formula	C16H18N2O2
Molecular weight	270.33
label	4,4′-diethoxyazobenzene, 4,4′-diethoxyazobenzene, 97%, 4,4’-azodi-phenetol, 4,4’-azophenetole, 4,4’-diethoxy-azobenzen, bis(4-ethoxyphenyl)-diazen, bis(4-ethoxyphenyl)diazene, bis-p-ethoxyazobenzene, Diazene, bis(4-ethoxyphenyl)-, 4,4′-DIETHOXYAZOBENZENE, Aromatic hydrocarbons (substituted) and derivatives

Numbering system

CAS number:588-52-3

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

None yet

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1, Molar refractive index:79.70

2、 Molar volume (m³/mol):253.8

3, Isotonic specific volume (90.2K ):625.3

4, Surface tension (dyne/ cm):36.8

5、 Polarizability (10^-24cm³): 31.59

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 4.4

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: none

6. Topological molecule polar surface area 43.2

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 252

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

13 .Determined number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

Oxazepam

Published by BDMAEE on 2024-03-18 | Permalink

Structural formula

Business number	068F
Molecular formula	C15H11ClN2O2
Molecular weight	286.71
label	7-Chloro-2,3-dihydro-3-hydroxy-5-phenyl-1,4(2H)-benzodiazepine-2-one, 7-Chloro-1,3-dihydro-3-hydroxy-5-phenyl-1,4(2H)-benzodiazepin-2-one

Numbering system

CAS number:604-75-1

MDL number:MFCD00057903

EINECS number:210-076-9

RTECS number:DF1400000

BRN number:None

PubChem number:24898014

Physical property data

None yet

Toxicological data

None yet

Ecological data

3. Ecological data:

1. Other harmful effects: This substance may be harmful to the environment and should be harmful to water bodies. Give special attention.

Molecular structure data

5. Molecular property data:

1, Molar refractive index:76.43

2, Molar volume (m³/mol):201.8

3, Isotonic specific volume (90.2K ):548.8

4, Surface tension (dyne/ cm):54.6

5、 Polarizability (10^-24cm³): 30.30

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 27

6. Topological molecule polar surface area 61.7

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 407

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Properties and stability:

No decomposition products may occur under normal temperatures and pressures.

Storage method

1. Storage

-20℃Storage.

Synthesis method

None yet

Purpose

2. Purpose

It has sedative, hypnotic, anti-anxiety, anti-epilepsy and muscle relaxation effects.

4-methyl-1-pentene

Published by BDMAEE on 2024-03-18 | Permalink

Structural formula

Business number	079G
Molecular formula	C6H12
Molecular weight	84.16
label	Monomer of new synthetic material poly4-methyl-1-pentene, Organic synthesis intermediates

Numbering system

CAS number:691-37-2

MDL number:MFCD00008949

EINECS number:211-720-1

RTECS number:None

BRN number:1731096

PubChem number:24885832

Physical property data

1. Properties: colorless liquid.

2. Density (g/mL, 25/4℃): 0.665

3. Solubility parameter (J·cm^-3)^0.5：14.478

4. Melting point (ºC): -155

5. Boiling point (ºC, normal pressure): 53-54

6. van der Waals area (cm²·mol^-1): 9.100×10⁹

7. Refractive index (n²⁰_D)_{: 1.3828}

8. Flash point (ºC): -7

9. van der Waals volume (cm³·mol^-1): 64.760

10. Autoignition point or ignition temperature (ºC): 300

11. Liquid phase standard hot melt (J·mol^-1·K ^-1): 184

12. Critical temperature (K): 221.85

13. Critical pressure (MPa): 3.29

14. Critical density (g·cm^-3): 0.238

15. Critical volume (cm³·mol^-1): 354

16. Critical compression factor: 0.283

17. Eccentricity factor: 0.23918. Lower explosion limit (%, V/V): 1.2

18. Solubility: Not soluble in water.

19. Gas phase standard combustion heat (enthalpy) (kJ·mol^-1): -4024.80

20. Gas phase standard claimed heat (enthalpy) ( kJ·mol^-1): -51.25

21. Gas phase standard entropy (J·mol^-1·K^-1): 367.73

22. Gas phase standard free energy of formation (kJ·mol^-1): 82.96

23. Gas phase standard hot melt (J ·mol^-1·K^-1): 126.48

24. Liquid phase standard heat of combustion (enthalpy) (kJ·mol^{– 1}): -3996.01

25. The liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -80.04

Toxicological data

None yet

Ecological data

Do not allow undiluted or large quantities of products that are slightly hazardous to water to come into contact with groundwater, waterways or sewage systems. Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 29.53

2. Molar volume (cm³/mol): 123.0

3. Isotonic specific volume (90.2K ): 257.2

4. Surface tension (dyne/cm): 19.1

5. Dielectric constant: 2.05

6. Dipole moment (10^-24cm³):

7. Polarizability: 11.70

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.7

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 35.3

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Keep away from oxides and acids.

2. Exist in smoke.

Storage method

Store in an airtight container in a cool, dry place. Store away from oxidizing agents. Avoid contact with air or oxidizing agents. Never store with acids.

Synthesis method

It is used as an intermediate in organic synthesis and is obtained by dimerization of propylene. Propylene reacts with metals to form organic potassium compounds, which act as catalysts in the dimerization reaction. The dimerization reaction is carried out under the conditions of 160°C and about 6MPa. The single-pass conversion rate of propylene is about 48%, and 4-methyl-1-pentene is obtained with a yield of about 78%.

Purpose

This product is a monomer of new synthetic material poly4-methyl-1-pentene. It can be used as an organic synthesis intermediate to produce methyl isobutyl ketone and 2-isobutyl-6-methylheptene. ene and isoprene, etc.