2-(4-Aminophenylthio)acetic acid 2-(4-Aminophenylthio)acetic Acid
Structural formula
| Business number | 02PS |
|---|---|
| Molecular formula | C8H9NO2S |
| Molecular weight | 183.23 |
| label |
2-(4-Aminophenylthio)acetic acid, (4-Aminophenylthio)acetic acid, 2-(4-Aminophenylthio)acetic acid, 2-(4-Aminophenylthio)acetic acid, (4-Aminophenylthio)acetic acid, S-(P-Aminophenyl)mercaptoacetic acid, S-(P-Aminophenyl)thioglycolic acid, S-(4-Aminophenyl)thioglycolic acid, (P-Aminophenylthio)acetic acid, P-Aminophenylmercaptoacetic acid, P-Aminothiophenoxyac |
Numbering system
CAS number:104-18-7
MDL number:MFCD00025360
EINECS number:203-182-1
RTECS number:None
BRN number:2720454
PubChem number:24873353
Physical property data
1. Properties: crystalline powder.
2. Density (g/mL, 20℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 197-203
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
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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
None yet
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 49.29
2. Molar volume (cm3/mol): 135.0
3. Isotonic specific volume (90.2K ): 386.2
4. Surface tension (dyne/cm): 66.8
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarization Rate: 19.54
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 1.2
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 3
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA): 63.3
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 155
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 Number: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Avoid contact with oxides.
Storage method
Store in a cool, ventilated warehouse. Keep away from fire, heat and water sources. Keep container tightly sealed. should be kept away from oxidizer, do not store together. 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 yet
Purpose
None yet