BDMAEE – Page 95

Sulfamethoxazole

Published by BDMAEE on 2024-04-01 | Permalink

Structural formula

Business number	07FH
Molecular formula	C10H11N3O3S
Molecular weight	253.28
label	sulfamethoxazole, Xinmingsulfonate, Sulfamethoxazole, 4-amino-N-(5-methyl-3-isoxazolyl)benzenesulfonamide, 3-p-aminobenzenesulfonamide-5-methyloxazole, 3-(P-Aminophenylsulfonamido)-5-Methylisoxazole, 4-Amino-N-(5-methyl-3-isoxazolyl)benzenesulfonamide, N1-(5-Methylisoxazol-3-yl)sulfanilamide, Antibacterial agents

Numbering system

CAS number:723-46-6

MDL number:MFCD00010546

EINECS number:211-963-3

RTECS number:WP0700000

BRN number:6732984

PubChem number:24899752

Physical property data

1. Properties: White crystalline powder, odorless and slightly bitter.

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

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

4. Melting point (ºC): 167

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

19. Solubility: Easily soluble in dilute hydrochloric acid, sodium hydroxide solution or ammonia, almost Insoluble in water.

Toxicological data

irritating

Ecological data

Slightly hazardous to water. Do not allow undiluted or large quantities 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: 62.45

2. Molar volume (cm³/mol): 173.1

3. Isotonic specific volume (90.2K): 502.3

4. Surface tension (dyne/cm): 70.9

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7 , Polarizability: 24.75

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: 6

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 2

6. Topological molecule polar surface area 107

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 346

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

Storage method

Stored in a cool, dry place and away from light

Synthesis method

1. Using 5-methylisoxazole-3-carboxamide as raw material, it is degraded to 5-methylisoxazole-3amine under the action of sodium hypochlorite, and then condensed with p-acetamidobenzenesulfonyl chloride to form 3 -(p-acetamidobenzenesulfonamide)-5-methylisoxazole, and then hydrolyzed under alkaline conditions to obtain 3-(p-aminobenzenesulfonylamino)-5-methylisoxazole. Obtained from 5-methylisoxazole-3-carboxamide through degradation, condensation and hydrolysis

2.Esterified from oxalic acid and ethanol , condensation, cyclization and amination with acetone and sodium methoxide to obtain 3-amino-5-methylisoxazole, which is then condensed with acetaminophenyl chloride and refined by hydrolysis.

Purpose

1. As an antibacterial agent, it is particularly effective against Staphylococcus aureus and Escherichia coli. It is mainly used as an anti-infective drug to treat avian cholera, and is used to prevent urinary tract infections, respiratory tract infections, intestinal infections, salmonella infections, acute otitis media in children, and meningococcal meningitis. Sulfa drugs are mainly used to treat acute and chronic urinary tract infections. They can also be used to prevent meningitis and acute otitis media caused by influenza bacilli. They can inhibit the growth of bacteria and are particularly effective against Staphylococcus and Escherichia coli. They can also be used to treat urinary tract infections. Infection and poultry littering are effective in biochemical studies. Medicine (antibacterial drugs) 2.Broad antibacterial spectrum, strong antibacterial effect, especially effective against Staphylococcus aureus and Escherichia coli. Suitable for respiratory system, urinary system and intestinal infections. It can hinder the growth of bacteria and is particularly effective against Staphylococcus aureus and Escherichia coli. Mainly used to treat avian cholera, etc.

Resource:allhdi.com

3-methylcatechol

Published by BDMAEE on 2024-04-01 | Permalink

Structural formula

Business number	053M
Molecular formula	C7H8O2
Molecular weight	124.14
label	3-methylcatechol, 2,3-Dihydroxytoluene, 1,2-Dihydroxy-3-methylbenzene

Numbering system

CAS number:488-17-5

MDL number:MFCD00016435

EINECS number:207-672-6

RTECS number:UX1910000

BRN number:774602

PubChem number:24896838

Physical property data

1. Properties: Brown crystalline powder

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

3 . Relative vapor density (g/cm³, air=1): 0.024

4. Melting point (ºC): 65~68

5. Boiling point (ºC, normal pressure): 241

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

7. Refractive index: Undetermined

8. Flash point (ºC): 140

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 ): 49.7

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol /water) logarithmic value of the distribution coefficient: 1.34

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

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

19. Solubility: Slightly soluble in water

Toxicological data

Acute toxicity: Mouse intravenous LD50: 56mg/kg, no details except 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: 34.84

2. Molar volume (cm³/mol): 102.5

3. Isotonic specific volume (90.2K ): 274.9

4. Surface tension (dyne/cm): 51.6

5. Polarizability (10^-24cm³): 13.81

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: 0

5. Number of tautomers: 19

6. Topological molecule polar surface area 40.5

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 92.9

10. Number of isotope atomsAmount: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the chemical bond position Number of 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 smoke.

Storage method

Seal and store in a ventilated, dry environment

Synthesis method

None

Purpose

None

Resource:allhdi.com

Isobutyl isovalerate

Published by BDMAEE on 2024-04-01 | Permalink

Structural formula

Business number	0609
Molecular formula	C9H18O2
Molecular weight	158.24
label	3-Methylbutyrate-2-methylpropyl ester, 2-Methylpropyl 3-methylbutanoate, (CH3)2CHCH2COOCH2CH(CH3)2

Numbering system

CAS number:589-59-3

MDL number:MFCD00048349

EINECS number:209-653-8

RTECS number:NY1506000

BRN number:1702649

PubChem number:24881755

Physical property data

1. Physical property data

1. Density: 0.853g/mL at 25 °C (lit.

2. Refractive index: n20 /D 1.4057(lit.)

3. Boiling point (ºC): 171.4

4. Relative density (20℃, 4℃): 0.8736

5 . Critical temperature (ºC): 347.85

Toxicological data

None

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 45.43

2. Molar volume (cm³/mol): 181.3

3. Isotonic specific volume (90.2K): 409.7

4. Surface tension (dyne/cm): 26.0

5. Polarizability (10^-24cm³): 18.01

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: 2

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 26.3

7. Number of heavy atoms: 11

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

Storage method

None

Synthesis method

None

Purpose

None

Resource:allhdi.com

3-iodobenzaldehyde

Published by BDMAEE on 2024-04-01 | Permalink

Structural formula

Business number	07AY
Molecular formula	C7H5IO
Molecular weight	232.02
label	IC6H4CHO, aromatic compounds

Numbering system

CAS number:696-41-3

MDL number:MFCD00039573

EINECS number:None

RTECS number:None

BRN number:1854653

PubChem number:24879144

Physical property data

1. Characteristics: slightly white lens powder.

2. Density (g/mL,25/4℃): Undetermined

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

4. Melting point (ºC): 57-60

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/Logarial value of the partition coefficient of water: undetermined

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

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

19. Solubility: Undetermined .

Toxicological data

None

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 release material into the environment without government permission.

Molecular structure data

1. Molar refractive index: 45.91

2. Molar volume（m³/ mol）：123.1

3. isotonic ratio（90.2K）：327.9

4. Surface Tension（dyne/cm）：50.2

5. Dielectric constant:

6. Dipole moment（10 ^-24cm³)：

7. Polarizability: 18.20

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 17.1

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 103

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, air.

Storage method

Store in a room filled with dry inert gas Store in container away from light and air. refrigeration.

Synthesis method

None

Purpose

None

Resource:allhdi.com

2,4-dihydroxypyridine

Published by BDMAEE on 2024-04-01 | Permalink

Structural formula

Business number	06ST
Molecular formula	C5H5NO2
Molecular weight	111.10
label	2,4-pyridinediol, 4-hydroxy-2-pyridone, 2,4-Pyridinediol, 3-Deazauracil, 4-Hydroxy-2-pyridone

Numbering system

CAS number:626-03-9

MDL number:MFCD00006273

EINECS number:210-924-8

RTECS number:UV1146800

BRN number:108533

PubChem number:24863634

Physical property data

1. Characteristics: slightly white solid.

2. Density (g/mL,25/4℃): Undetermined

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

4. Melting point (ºC): 275-277

5. Boiling point (ºC,Normal pressure): 315

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: -1.39

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

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

19. Solubility: Not determined.

Toxicological data

1, acute toxicity: mice (peritoneal)LD50: 4,895mg/kg

Since the LD50 of table salt is 3,000 mg/kg span>, BPA has the same acute toxicity as table salt.

Ecological data

For products that are slightly harmful to water, do not let large amounts of products 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:28.10

2. Molar Volume (cm³/mol):79.5

3. isotonic ratio (90.2K）：231.4

4. Surface Tension (dyne/cm）：71.7

5. Polarization Rate（10^-24cm³):11.14

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.4

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

p>

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 9

6. Topological molecule polar surface area 49.3

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 169

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.

Storage��Method

Store in an airtight container in a cool, dry place. Store away from oxidizing agents.

Synthesis method

None

Purpose

None

Resource:allhdi.com

8-nitroquinoline

Published by BDMAEE on 2024-04-01 | Permalink

Structural formula

Business number	069M
Molecular formula	C9H6N2O2
Molecular weight	174.16
label	8-Nitroazepine

Numbering system

CAS number:607-35-2

MDL number:MFCD00006806

EINECS number:210-135-9

RTECS number:VC1925000

BRN number:135178

PubChem number:24847955

Physical property data

Physical property data:
1. Character: colorless monoclinic crystal

2. Melting point91-92℃

3. Solubility: soluble in ethanol, ether and benzene, slightly soluble in cold water

Toxicological data

None

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:48.73

2、 Molar volume (m³/mol):128.6

3、 Isotonic specific volume (90.2K):360.7

4、 Surface tension (dyne/cm):61.8

5, Polarizability (10^-24cm³ ):19.31

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: 3

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 58.7

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 202

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: colorless Monoclinic crystal.

Storage method

Storage:

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

Synthesis method

2. Preparation method: from o-nitroaniline and glycerin in the presence of arsenic pentoxide and sulfuric acid, in130-135℃Reaction7-8h , just get it by ringing it8-Nitroquin phyline.

Purpose

3. Use: for Organic Synthesis.

Resource:allhdi.com

1-Bromo-4-fluoronaphthalene

Published by BDMAEE on 2024-04-01 | Permalink

Structural formula

Business number	04AR
Molecular formula	C10H6BrF
Molecular weight	225.06
label	4-Fluoro-1-bromonaphthalene, BUTTPARK 44\09-75, 4-fluoro-1-bromo-naphthalene, Naphthalene derivatives

Numbering system

CAS number:341-41-3

MDL number:MFCD00051473

EINECS number:206-434-9

RTECS number:None

BRN number:2085804

PubChem number:24878200

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): 35-38

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

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: 51.77

2. Molar Volume (m³/mol）：143.9

3. isotonic specific volume (90.2K):368.7

4. Surface Tension (dyne/cm):43.0

5. Polarizability(10^-24cm³): 20.52

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 4

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 160

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

Storage method

None

Synthesis method

None

Purpose

None

Resource:allhdi.com

2,6-dimethylphenol

Published by BDMAEE on 2024-04-01 | Permalink

Structural formula

Business number	05V6
Molecular formula	C8H10O
Molecular weight	122.16
label	2,6-xylenol, 2-Hydroxy-m-xylene, 2,6-Xylenol, Photographic chemicals, phenolic solvents, aromatic compounds

Numbering system

CAS number:576-26-1

MDL number:MFCD00002240

EINECS number:209-400-1

RTECS number:ZE6125000

BRN number:1446677

PubChem number:24862396

Physical property data

1. Properties: white crystal.

2. Boiling point (ºC, 101.3kPa): 203

3. Melting point (ºC): 45.8

4. Relative density (g/mL, 25 /25ºC, solid): 1.014

5. Relative density (g/mL, 80/4ºC): 0.983

6. Crystalline phase standard combustion heat (enthalpy) (kJ· mol^-1): -4339.9

7. Refractive index (n20ºC): 1.5371^d

8. Flash point ( ºC): 73

9. Heat of evaporation (KJ/mol): 44.55

10. Heat of formation (KJ/mol): 237.60

11. Combustion Heat (KJ/mol): 4342.76

12. Critical temperature (ºC): 427.8

13. Solubility: easily soluble in alcohol, ether, chloroform, benzene and alkali solutions, Slightly soluble in water

14. Crystal phase standard claims heat (enthalpy) (kJ·mol^-1): -237.4

15. Gas phase standard combustion Heat (enthalpy) (kJ·mol^-1): -4415.5

16. The gas phase standard claims heat (enthalpy) (kJ·mol^-1 ): -161.8

17. Gas phase standard entropy (J·mol^-1·K^-1): 389.83

18. Gas phase standard formation free energy (kJ·mol^-1): -39.0

19. Gas phase standard hot melt (J·mol^-1 ·K^-1)：155.97

Toxicological data

1. Acute toxicity: LD50: 296 mg/kg (rat oral); LD50: 920 mg/kg (mouse transdermal); Transdermal); LD50: 450 mg/kg (orally in mice)

2. Steam is irritating to the eyes and respiratory mucosa

Ecological data

None

Molecular structure data

1. Molar refractive index: 37.78

2. Molar volume (cm³/mol): 120.4

3. Isotonic specific volume (90.2K): 297.5

4. Surface tension (dyne/cm): 37.2

5. Polarizability ( 10^-24cm³): 14.97

6. Dipole moment (10^-30C·m): 4.70

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 2.4

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Topological molecular polar surface area (TPSA): 20.2

6. Number of heavy atoms: 9

7. Surface charge: 0

8. Complexity: 80.6

9. Number of isotope atoms: 0

10. Determine the number of atomic stereocenters : 0

11. Uncertain number of atomic stereocenters: 0

12. Determined number of chemical bond stereocenters: 0

13. Uncertain chemical bond formation Number of structural centers: 0

14. Number of covalent bond units: 1

Properties and stability

1. Corrosive and toxic. Can burn when exposed to open fire.

2. Exist in oriental tobacco leaves and smoke.

Storage method

None

Synthesis method

1. Use phenol or o-cresol as raw material, carry out gas phase catalytic reaction with methanol, and then purify through distillation. The purity of the product can reach more than 99%.

2. Obtain flake crystals or needle crystals from ethanol.

Purpose

Used in the production of polyphenylene ether resin, photographic chemicals, pesticides, polyester and polyether resin. The antiarrhythmic drug Slow Heart Rhythm can be prepared from 2,6-xylenol through hydroxypropylation, oxidative condensation, hydrogenation and salt formation.

Resource:allhdi.com

Tetrahydrofurfuryl alcohol propionate

Published by BDMAEE on 2024-04-01 | Permalink

Structural formula

Business number	070Z
Molecular formula	C8H14O3
Molecular weight	158.19
label	Tetrahydrofurfuryl propionate, Tetrahydrofuran methyl propionate, N-Propionic acid tetrahydrofurfuryl ester, DL-Tetrahydrofurfuryl propionate, Tetrahydro-2-furanylmethyl propionate, Esters

Numbering system

CAS number:637-65-0

MDL number:MFCD00047080

EINECS number:211-297-3

RTECS number:None

BRN number:None

PubChem number:24901455

Physical property data

1. Character: Undetermined .

2. Density (g/mL,25/4℃): 1.04

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

4. Melting point (ºC): Undetermined

5. Boiling point (ºC,Normal pressure): 207

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

7. Refractive index: 1.438

8. Flash point (ºC): 92

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 upper limit (%,V/V ): Undetermined

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

19. Solubility: Not determined .

Toxicological data

None

Ecological data

Usually not harmful to water, Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 40.41

2. Molar Volume (m³/mol）：153.8

3. isotonic specific volume (90.2K):373.1

4. Surface Tension (dyne/cm):34.6

5. Polarizability（10^-24cm³):16.02

Compute chemical data

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

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 35.5

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 133

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

Keep away from oxides.

Storage method

Store in an airtight container and place Store in a cool, dry place. Store away from oxidizing agents.

Synthesis method

None

Purpose

None

Resource:allhdi.com

Ellipticine solution

Published by BDMAEE on 2024-04-01 | Permalink

Structural formula

Business number	05CD
Molecular formula	C17H14N2
Molecular weight	246.31
label	5,11-Dimethyl-6H-pyrido[4,3-b]carbazole

Numbering system

CAS number:519-23-3

MDL number:MFCD00010524

EINECS number:208-264-0

RTECS number:UU8825000

BRN number:221300

PubChem ID:None

Physical property data

1. Character: Undetermined

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

3. relative Vapor density (g/cm³,air=1): Undetermined

4. Melting point (ºC):316-318

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

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

7. Refractive Index: Undetermined

8. Flash Point (ºF): 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:Soluble in water

Toxicological data

None

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: 81.95

2. Molar volume (m³/mol):195.8

3. isotonic specific volume (90.2K):547.8

4. Surface Tension (dyne/cm):61.1

5. Polarizability（10^-24cm³):32.48

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: 0

5. Number of tautomers: 2

6. Topological molecule polar surface area 28.7

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 342

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

Store at 2-8°C in a cool, dry, well-ventilated warehouse. Keep away from fire and heat sources. Avoid direct sunlight. Packaged tightly. Should be kept away from acids. Store chemicals and edible chemicals separately, and avoid mixed storage. The storage area should be equipped with suitable materials to contain leaks.

Synthesis method

None

Purpose

None

Resource:allhdi.com