Toluene diisocyanate manufacturer Knowledge 3-Amino-4-hydroxy-5-nitrobenzenesulfonic acid 3-Amino-4-hydroxy-5-nitrobenzenesulfonic Acid

3-Amino-4-hydroxy-5-nitrobenzenesulfonic acid 3-Amino-4-hydroxy-5-nitrobenzenesulfonic Acid

3-amino-4-hydroxy-5-nitrobenzenesulfonic acid structural formula

Structural formula

Business number 02BM
Molecular formula C6H6N2O6S
Molecular weight 234.19
label

6-nitro-2-aminophenol-4-sulfonic acid,

6-Nitro-2-aminophenol-4-sulfonic acid,

H2NC6H2(OH)(NO2)SO3H

Numbering system

CAS number:96-93-5

MDL number:MFCD00035910

EINECS number:202-546-7

RTECS number:DB4900000

BRN number:None

PubChem number:24873806

Physical property data

1. Properties: Yellow crystalline powder.

2. Density (g/mL, 20℃): Undetermined

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

4. Melting point (ºC): 325

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

6. Boiling point (ºC, kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

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

11. Vapor pressure (mmHg, 20.2ºC): Not determined

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

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

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

19. Solubility: Undetermined

Toxicological data

Skin/eye irritation: Standard Dresser test: rabbit skin contact, 500mg/24HREACTION SEVERITY, mild reaction; Standard Dresser test: rabbit eye contact, 20mg/24HREACTION SEVERITY, moderate reaction;

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 48.28

2. Molar volume (cm3/mol): 124.7

3. Isotonic specific volume (90.2K ): 400.5

4. Surface tension (dyne/cm): 106.1

5. Polarizability (10-24cm3): 19.14

Calculate chemical data

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

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 7

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 7

6. Topological molecule polar surface area 155

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 344

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 stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Covalent bonds Number of units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

Used as dye intermediates.

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/21880

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