3-Aminobenzenesulfonamide 3-Aminobenzenesulfonamide
Structural formula
| Business number | 02DK |
|---|---|
| Molecular formula | C6H8N2S |
| Molecular weight | 172.22 |
| label |
m-aminobenzene sulfonamide, 3-Amino-benzenesulfonamid, 3-Aminosulfonylaniline, Benzenesulfonamide, m-amino-, m-Aminobenzenesulphonamide, Metaniilamide, m-Sulfamoylaniline, m-Aminobenzenesulfonamide, Metanilamide |
Numbering system
CAS number:98-18-0
MDL number:MFCD00035781
EINECS number:202-646-0
RTECS number:OY2200000
BRN number:None
PubChem number:24858807
Physical property data
1. Properties: Solid.
2. Density (g/mL, 25℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 139
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: Undetermined
Toxicological data
Acute toxicity: Mouse oral LDLo: 4500 mg/kg;
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 42.80
2. Molar volume (cm3/mol): 120.6
3. Isotonic specific volume (90.2K ): 340.9
4. Surface tension (dyne/cm): 63.7
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 16.97
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): None
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: None
6. Topological molecule polar surface area 94.6
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 219
10. Number of isotope atoms: 0
11. Determine the atomic configuration Number of centers: 0
12. Uncertain number of atomic stereocenters: 0
13. Determined number of chemical bond stereocenters: 0
14. Uncertain Number of stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
Avoid contact with oxidizing agents.
Storage method
Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
None
Purpose
Used as intermediates in organic synthesis.
