BDMAEE – Page 85

diazepam

Published by BDMAEE on 2024-04-08 | Permalink

Structural formula

Business number	04TY
Molecular formula	C16H13ClN2O
Molecular weight	284.74
label	7-Chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2(1H)-one, Ro 5-2807, 7-Chloro-1-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepine-2-one, 7-Chloro-2,3-dihydro-1methyl-5-phenyl-1,4-benzodiazepin-2, stable, Benzodiazepine, 7-Chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepine-2-one, diazepam, ① Diazepam ② Diazepam (0405 requires application for export license), Benzodiazepine

Numbering system

CAS number:439-14-5

MDL number:MFCD00057323

EINECS number:207-122-5

RTECS number:DF1575000

BRN number:None

PubChem number:24893306

Physical property data

一 , physical property data

Traits ：White or off-white crystalline powder

Density (g/mL,25/4℃): Not available

Relative Vapor density (g/mL, air=1)：Not available

Melting point (ºC):125-126

Boiling point (ºC, normal pressure): Not available

Boiling point (ºC, 5.2kPa): Not available

Refraction Rate: Not available

Flash Point (ºC): 11

Optical rotation (º): Not available

Spontaneous combustion Point or ignition temperature (ºC): Not available

Steam Pressure (kPa, 25ºC): Not available

saturated Vapor pressure (kPa, 60ºC): Not available

Burn Heat (KJ/mol):Not available

Critical Temperature (ºC): Not available

Critical Pressure (KPa): Not available

oil and water Log value of the (octanol/water) partition coefficient:Not available

Explosion Upper limit (%, V/V): Not available

Explosion Lower limit (%, V/V): Not available

Dissolve Properties:Easily soluble in acetone, chloroform, petroleum ether, soluble in In ethanol, very slightly soluble in water

Toxicological data

Two , Toxicological data:

Acute Toxicity:Not available .

Ecological data

Three , Ecological data:

1 ,Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.

Molecular structure data

1、 Molar refractive index:80.91

2、 Molar volume（m³/mol)：225.8

3、 Isotonic specific volume (90.2K):588.6

4、 Surface tension（dyne/cm)：46.1

5、 Polarizability(10^-24cm³)：32.07

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: 1

5. Number of tautomers: 2

6. Topological molecule polar surface area 32.7

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 403

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

None yet

Storage method

None yet

Synthesis method

By2- Amino-5-Chlorobenzophenone is obtained by condensation, cyclization, ring expansion, methylation and elimination.

Purpose

Weak tranquillizer. It has sedative, hypnotic, anti-anxiety, anti-convulsant, anti-epileptic and muscle relaxing effects. It is mainly used to treat anxiety disorders and general insomnia. It is also used for anti-epileptic and anti-convulsant drugs. It can also be used as an auxiliary drug for general anesthesia as a pre-anesthetic drug.

Resource:allhdi.com

5-methylisatin

Published by BDMAEE on 2024-04-08 | Permalink

Structural formula

Business number	06A0
Molecular formula	C9H7NO2
Molecular weight	161.16
label	5-methyl-2,3-indoledione, 5-methylindole-2,3-dione, 5-Methylindole-2,3-dione

Numbering system

CAS number:608-05-9

MDL number:MFCD00005721

EINECS number:210-152-1

RTECS number:NL7939300

BRN number:123738

PubChem number:24896609

Physical property data

1. Characteristics: purple-red Crystal

2. Melting point:184-188℃

Toxicological data

None yet

Ecological data

3. Ecological data:

1, other harmful effects: This substance may be harmful to the environment, special attention should be paid to water bodies.

Molecular structure data

5. Molecular property data:

1, Molar refractive index:42.24

2, Molar volume (m³/mol):123.8

3, Isotonic specific volume (90.2K):329.3

4、 Surface tension (dyne/cm):50.0

5, Polarizability (10^-24cm³ ):16.74

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 15

6. Topological molecule polar surface area 46.2

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 237

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. Properties: This product is purple-red crystal.

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

Resource:allhdi.com

2,6-Difluoroanisole

Published by BDMAEE on 2024-04-08 | Permalink

Structural formula

Business number	04TX
Molecular formula	C7H6F2O
Molecular weight	144.12
label	2,6-Difluoroanisole, 2,6-Difluoroanisole, 97+%, 2,6-DIFLUOROANISOLE, 2,6-Difluoroanisole, 97+%, 2,6-Difluoroanisole 98%, 2,6-Difluoroanisole98%, 2,6-DIFLUOROANISOLE: 98.5%

Numbering system

CAS number:437-82-1

MDL number:MFCD00142846

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

一 , physical property data

Traits ：Not available

Density (g/mL,25/4℃): 1.221

Relative Vapor density (g/mL, air=1)：Not available

Melting point (ºC): Not available

Boiling point (ºC, normal pressure): 70

Boiling point (ºC, 5.2kPa): Not available

Refraction Rate: Not available

Flash Point (ºC): 61

Optical rotation (º): Not available

Spontaneous combustion Point or ignition temperature (ºC): Not available

Steam Pressure (kPa, 25ºC): Not available

saturated Vapor pressure (kPa, 60ºC): Not available

Burn Heat (KJ/mol):Not available

Critical Temperature (ºC): Not available

Critical Pressure (KPa): Not available

oil and water Log value of the (octanol/water) partition coefficient:Not available

Explosion Upper limit (%, V/V): Not available

Explosion Lower limit (%, V/V): Not available

Dissolve Properties: Not available

Toxicological data

2. Toxicological data:

Acute Toxicity:Not available .

Ecological data

Three , Ecological data:

1 ,Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.

Molecular structure data

1、 Molar refractive index:32.91

2、 Molar volume（m³/mol)：121.8

3、 Isotonic specific volume (90.2K): 278.1

4、 Surface tension（dyne/cm)：27.1

5、 Polarizability(10^-24cm³）：13.05

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.1

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: None

6. Topological molecule polar surface area 9.2

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 97.8

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

p>

13. Determine the 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

Resource:allhdi.com

2,6-Difluorobenzaldehyde

Published by BDMAEE on 2024-04-08 | Permalink

Structural formula

Business number	04TW
Molecular formula	C7H4F2O
Molecular weight	142.10
label	2,6-Difluorobenzaldehyde, 2,6-Difluorobenzaldehyde, 97%, 3,4,5-Trifluorobenzonitrile, 2,6-DIFLUOROBENZALDEHYDE, TIMTEC-BB SBB006685, 2,6-Difluorobenzaldehyde,97%, 3,4,5-triflurobenzenenitrile, 2,6-Difluorobenzaldehyde 98%, 2,6-Difluorobenzaldehyde98%, 2,6-DIFLUORLOBENZALDEHYDE, 2-6-Difluorbenzaldehyd

Numbering system

CAS number:437-81-0

MDL number:MFCD00010293

EINECS number:000-000-0

RTECS number:None

BRN number:1935273

PubChem number:24856057

Physical property data

一 , physical property data

Traits ：Yellow liquid

Density (g/mL,25/4℃): 1.317

Relative Vapor density (g/mL, air=1)：Not available

Melting point (ºC): 15-17

Boiling point (ºC, normal pressure):82-84

Boiling point (ºC, 5.2kPa): Not available

Refraction Rate: 1.506-1.509

Flash Point (ºC): 73

Optical rotation (º): Not available

Spontaneous combustion Point or ignition temperature (ºC): Not available

Steam Pressure (kPa, 25ºC): Not available

saturated Vapor pressure (kPa, 60ºC): Not available

Burn Heat (KJ/mol):Not available

Critical Temperature (ºC): Not available

Critical Pressure (KPa): Not available

oil and water Log value of the (octanol/water) partition coefficient:Not available

Explosion Upper limit (%, V/V): Not available

Explosion Lower limit (%, V/V): Not available

Dissolve Properties: Not available

Toxicological data

Two , Toxicological data:

Acute Toxicity:Not available .

Ecological data

Three , Ecological data:

1 ,Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.

Molecular structure data

1、 Molar refractive index:32.99

2、 Molar volume（m³/mol)：109.5

3, Isotonic specific volume (90.2K): 266.5

4、 Surface tension（dyne/cm)：35.1

5、 Polarizability(10^-24cm³）：13.07

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.6

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. RotatableNumber of converted chemical bonds: 1

5. Number of tautomers: None

6. Topological molecule polar surface area 17.1

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 117

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

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

Intermediates for pharmaceuticals, pesticides, and liquid crystal materials.

Resource:allhdi.com

2,4,6-Tribromoanisole

Published by BDMAEE on 2024-04-08 | Permalink

Structural formula

Business number	069Z
Molecular formula	C7H5Br3O
Molecular weight	344.83
label	2,4,6-Tribromo-1-methoxybenzene, 2,4,6-Tribromo-1-methoxybenzene, Br3C6H2OCH3

Numbering system

CAS number:607-99-8

MDL number:MFCD00192510

EINECS number:None

RTECS number:None

BRN number:2210361

PubChem number:24864766

Physical property data

1. Physical property data

Boiling point: 297℃
Melting point: 87-89℃

Toxicological data

None yet

Ecological data

3. Ecological data:

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

Molecular structure data

5. Molecular property data:

1, Molar refractive index:56.00

2, Molar volume (m³/mol):161.9

3, Isotonic specific volume (90.2K ):415.4

4, Surface tension (dyne/cm):43.2

5、 Polarizability (10^-24cm³): 22.2

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: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 9.2

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 119

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

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

Resource:allhdi.com

2-Ethyl acetoacetate

Published by BDMAEE on 2024-04-08 | Permalink

Structural formula

Business number	069Y
Molecular formula	C8H14O3
Molecular weight	158.19
label	Ethyl α-ethylbutanate, 2-Acetylbutyrate ethyl ester, CH3COCH(C2H5)COOC2H5

Numbering system

CAS number:607-97-6

MDL number:MFCD00039898

EINECS number:210-151-6

RTECS number:None

BRN number:636286

PubChem number:24845390

Physical property data

Physical property data: 1. Density 0.981

2. Refractive index 1.421

3. Flash point>110°C

4. Boiling point (ºC): 198

5. Relative density (20℃, 4℃): 0.9810

6. Refractive index at normal temperature (n²⁰): 1.4225

7. Normal temperature Refractive index (n²⁵): 1.4214

8. Gas phase standard combustion heat (enthalpy) (kJ·mol^-1): -4489.2

9. Gas phase standard claimed heat (enthalpy) (kJ·mol^-1): -659.7

10. Liquid phase standard combustion heat (enthalpy) (kJ ·mol^-1): -4432.3

11. The liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -716.6

Toxicological data

None yet

Ecological data

3. Ecological data:

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

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 40.87

2. Molar volume (cm³/mol): 161.5

3. Isotonic specific volume (90.2K): 377.6

4. Surface tension (dyne/cm): 29.8

5. Polarizability (10^-24cm³): 16.20

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.3

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: 5

6. Topological molecule polar surface area 43.4

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 151

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:

The product may not decompose under normal temperature and pressure.

Storage method��

Storage:

Seal the container and store it in a sealed main container in a cool, dry place.

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

4′,5-Dihydroxy-7-methoxyflavone

Published by BDMAEE on 2024-04-08 | Permalink

Structural formula

Business number	04TV
Molecular formula	C16H12O5
Molecular weight	284.26
label	4′,5-dihydroxy-7-methoxyflavone, genaigenin, 5,4′-dihydroxy-7-methoxyflavone, 5,4′-DIHYDROXY-7-METHOXYFLAVONE, 4′,5-DIHYDROXY-7-METHOXYFLAVONE, 7-METHOXYAPIGENIN, GENKWANIN, APIGENIN-7-METHYL ETHER, 7-Methylapigenin, 7-O-Methylapigenin, Apigenin 7-O-Methyl Ether

Numbering system

CAS number:437-64-9

MDL number:MFCD00017452

EINECS number:None

RTECS number:None

BRN number:292549

PubChem ID:None

Physical property data

一 , physical property data

Traits ：Not available

Density (g/mL,25/4℃): Not available

Relative Vapor density (g/mL, air=1)：Not available

Melting point (ºC): 290-292

Boiling point (ºC, normal pressure): Not available

Boiling point (ºC, 5.2kPa): Not available

Refraction Rate: Not available

Flash Point (ºC): Not available

Optical rotation (º): Not available

Spontaneous combustion Point or ignition temperature (ºC): Not available

Steam Pressure (kPa, 25ºC): Not available

saturated Vapor pressure (kPa, 60ºC): Not available

Burn Heat (KJ/mol):Not available

Critical Temperature (ºC): Not available

Critical Pressure (KPa): Not available

oil and water Log value of the (octanol/water) partition coefficient:Not available

Explosion Upper limit (%, V/V): Not available

Explosion Lower limit (%, V/V): Not available

Dissolve Properties: Not available

Toxicological data

Two , Toxicological data:

Acute Toxicity:Not available .

Ecological data

Three , Ecological data:

1 ,Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.

Molecular structure data

1、 Molar refractive index:76.10

2、 Molar volume（m³/mol)：200.6

3、 Isotonic specific volume (90.2K):574.6

4、 Surface tension（dyne/cm)：67.2

5、 Polarizability(10^-24cm³)：30.17

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: 5

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 24

6. Topological molecule polar surface area 76

7. Number of heavy atoms: 21

8. Surface charge: 0

9. Complexity: 424

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

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

triphenylhexafluorophosphate

Published by BDMAEE on 2024-04-08 | Permalink

Structural formula

Business number	04TU
Molecular formula	C18H15BF4S
Molecular weight	350.18
label	triphenylhexafluorophosphate, TRITYL HEXAFLUORO-PHOSPHATE, TRITYLIUM HEXAFLUOROPHOSPHATE, TRIPHENYLCARBENIUM HEXAFLUOROPHOSPHATE, triphenyl-methyliuhexafluorophosphate(1-), Trityl hexafluorophosphate, Tritylium hexafluorophosphate, Triphenylmethylium·hexafluorophosphate, Trityl cation·hexaf

Numbering system

CAS number:437-17-2

MDL number:MFCD00013121

EINECS number:207-112-0

RTECS number:None

BRN number:4344297

PubChem number:24850084

Physical property data

1. Physical property data

Properties: Not available

Density (g/mL, 25/4℃ ): Not available

Relative vapor density (g/mL, air=1): Not available

Melting point (ºC): 150

Boiling point (ºC, normal pressure): Not available

Boiling point (ºC, 5.2kPa): Not available

Refractive index: Not available

Flash point (ºC): Not available

Specific rotation (º): Not available Use

Autoignition point or ignition temperature (ºC): Not available

Vapor pressure (kPa, 25ºC): Not available

Saturated vapor pressure (kPa, 60ºC): Not available

Heat of combustion (KJ/mol): Not available

Critical temperature (ºC): Not available

Critical pressure (KPa): Not available

Oil and water (octanol/water ) Logarithmic value of distribution coefficient: Not available

Explosion upper limit (%, V/V): Not available

Explosion lower limit (%, V/V): Not available

Solubility: Not available

Toxicological data

2. Toxicological data:

Acute toxicity: Not available.

Ecological data

3. Ecological data:

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

Molecular structure data

1. Molar refractive index: 76.10

2. Molar volume (cm³/mol): 200.6

3. Isotonic specific volume (90.2K ): 574.6

4. Surface tension (dyne/cm): 67.2

5. Polarizability (10-24cm3): 30.17

Compute chemical data

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

2. Number of hydrogen bond donors: 0

3. Hydrogen bondNumber of isomers: 7

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: None

6. Topological molecular polarity Surface area 0

7. Number of heavy atoms: 26

8. Surface charge: 0

9. Complexity: 259

10 .The number of isotope atoms: 0

11. The number of determined atomic stereocenters: 0

12. The number of uncertain atomic stereocenters: 0

13. Determined number of chemical bond stereocenters: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 2

Properties and stability

None yet

Storage method

Store at 2-8℃.

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

(±)-3-Heptanol

Published by BDMAEE on 2024-04-08 | Permalink

Structural formula

Business number	060G
Molecular formula	C7H16O
Molecular weight	116.20
label	Butyl ethyl methanol, 3-Heptanol, Butyl ethyl carbinol, 3-Heptyl alcohol, 1-Ethylpentyl alcohol, CH3(CH2)3CH(OH)CH2CH3, solvents for coatings, thinner, Defoaming agent for flotation ore, Edible spices

Numbering system

CAS number:589-82-2

MDL number:MFCD00004586

EINECS number:209-661-1

RTECS number:MJ3150000

BRN number:1719067

PubChem number:24874005

Physical property data

1. Properties: colorless transparent liquid with slight odor.

2. Boiling point (ºC, 101.3kPa): 156.8

3. Melting point (ºC): -70

4. Relative density (g/mL, 20/20ºC): 0.8224

5. Relative vapor density (g/mL, air=1): 4.01

6. Viscosity (mPa·s, 20ºC): 7.1

p>

7. Heat of evaporation (KJ/kg): 406.0

8. Specific heat capacity (KJ/(kg·K), 13ºC, constant pressure): 2.42

9 . Vapor pressure (kPa, 20ºC): 0.67

10. Solubility (%, water, 20ºC): 0.45

11. Volume expansion coefficient (K^-1,55ºC): 0.00100

12. Solubility: Can dissolve a variety of oils, rubber, natural resins, and is slightly soluble in water.

13. Relative density (20℃, 4℃): 0.82212

14. Relative density (25℃, 4℃): 0.8170

15. Normal temperature Refractive index (n²⁰): 1.4220

16. Refractive index at room temperature (n²⁵): 1.4200

17. Critical Temperature (ºC): 332.25

18. Critical density (g·cm^-3): 0.268

19. Critical volume (cm³·mol^-1): 434

Toxicological data

Acute toxicity: LD50: 1870mg/kg (rat oral); LD50: 4360uL/kg (rabbit transdermal)

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 35.97

2. Molar volume (cm³/mol): 141.9

3. Isotonic specific volume (90.2K ): 324.7

4. Surface tension (dyne/cm): 27.3

5. Polarizability (10^-24cm³): 14.26

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 43.7

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

Colorless oily liquid. It has a strong herbal aroma and a slightly bitter taste. Boiling point is 66°C (2666Pa). Insoluble in water, soluble in ethanol. Natural products are found in bananas, papayas, peppermint oil, Scottish spearmint oil, roast beef, corn wine, strawberries, etc. It does not corrode metal when dry and has the chemical reactivity of secondary alcohols.

Storage method

Can be stored in iron, mild steel, copper or aluminum containers.

Synthesis method

Originated from the catalytic hydrogenation of ethyl butyl ketone.

Purpose

Food spices. Mainly used for preparing spices and flavors. It is a solvent and diluent for coatings, a defoaming agent for flotation ores and an intermediate for organic synthesis.

Resource:allhdi.com

α,α’-Dibromo-m-xylene

Published by BDMAEE on 2024-04-08 | Permalink

Structural formula

Business number	06SY
Molecular formula	C8H8Br2
Molecular weight	263.96
label	1,3-bis(bromomethyl)benzene, Benzyl o-dibromide, Dibromo-xylene, 1,3-Bis(bromomethyl)benzene, m-Xylylene dibromide, C6H4(CH2Br)2

Numbering system

CAS number:626-15-3

MDL number:MFCD00000178

EINECS number:210-931-6

RTECS number:None

BRN number:971085

PubChem number:24861239

Physical property data

1. Properties: off-white crystalline powder

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

3. Relative vapor density (g/mL , air = 1): not determined

4. Melting point (ºC): 74-76

5. Boiling point (ºC, normal pressure): not determined

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

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

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. Log value of oil-water (octanol/water) partition coefficient: Undetermined

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

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

19. Solubility: insoluble in water

Toxicological data

None yet

Ecological data

Do not allow large quantities of products that are slightly harmful 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: 51.54

2. Molar volume (cm³/mol): 148.4

3. Isotonic specific volume (90.2K ): 385.1

4. Surface tension (dyne/cm): 45.3

5. Polarizability (10^-24cm³): 20.43

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: 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: 10

8. Surface charge: 0

9. Complexity: 83.3

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

Keep away from oxides, alkalis, and reactive metals.

Storage method

Store in an airtight container in a cool, dry place. The storage area must be locked and the keys must be given to the technical experts and their assistants. Store away from oxidizing agents.

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com