3-Nitrobenzenesulfonic acid 3-Nitrobenzenesulfonic acid
Structural formula
| Business number | 02DX |
|---|---|
| Molecular formula | C6H5NO5S |
| Molecular weight | 203.17 |
| label |
m-nitrobenzene sulfonic acid, Anti-stain salt S, 3-Nitrobenzenesulfonic acid, m-Nitrobenzene sulfonic acid, m-Nitrobenzensulfonic acid, 3-Nitro-benzenesulfonic acid, 3-Nitrobenzenesulphonic acid, 3-Nitrophenylsulfonicacid, Benzenesulfonic acid, 3-nitro- |
Numbering system
CAS number:98-47-5
MDL number:None
EINECS number:202-671-7
RTECS number:DB7190000
BRN number:None
PubChem ID:None
Physical property data
1. Properties: hygroscopic yellow leaf-shaped crystals.
2. Density (g/mL, 25℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 70
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, 40ºC): Not determined
12. Saturated vapor pressure (kPa , 20ºC): 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: Easily soluble in water, soluble in alcohol and alkali, insoluble in ether.
Toxicological data
Skin/eye irritation: Standard Dresser test: rabbit skin contact, 500mg/24HREACTION SEVERITY, mild reaction; Standard Dresser test: rabbit eye contact, 2mg/24HREACTION SEVERITY, strong reaction;
Ecological data
This substance is harmful to the environment, and special attention should be paid to the pollution of water bodies.
Molecular structure data
1. Molar refractive index: 43.13
2. Molar volume (cm3/mol): 124.0
3. Isotonic specific volume (90.2K): 357.3
4. Surface tension (dyne/cm): 68.8
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 17.10
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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: 5
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 109
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 287
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
Does not decompose under normal temperature and pressure. Avoid contact with strong oxidants and strong alkali.
Storage method
Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from oxidants, alkalis, and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.
Synthesis method
None
Purpose
Used in organic synthesis.
