O-aminothiophenol
Structural formula
| Business number | 03R9 |
|---|---|
| Molecular formula | C6H7NS |
| Molecular weight | 125.19 |
| label |
2-Aminobenzenethiol, 2-Aminophenyl mercaptan, 2-Mercaptoaniline, 2-aminothiophenol, 2-Aminothiophenol, aromatic compounds |
Numbering system
CAS number:137-07-5
MDL number:MFCD00007702
EINECS number:205-277-3
RTECS number:DC0600000
BRN number:606076
PubChem number:24856575
Physical property data
1. Properties: needle-like crystals or light yellow liquid.
2. Density (g/mL, 25/4℃): 1.168
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 26
5. Boiling point (ºC, normal pressure): 234
6. Boiling point (ºC, 5.2kPa): Undetermined
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7. Refractive index: 1.6408
8. Flash point (ºC): 79
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: Soluble in ethanol and ether, insoluble in water.
Toxicological data
Acute toxicity data:
Rat oral LDLo: 500mg/kg
Mouse intraperitoneal LD50: 25mg/kg
Mouse intravenous LD50: 100mg/kg
Ecological data
General remarks
Water hazard level 1 (German regulations) (self-assessment via list) This substance is slightly hazardous to water.
Do not allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems.
Also toxic to fish and plankton in water bodies
Do not discharge materials into the surrounding environment without government permission.
Highly toxic to organic matter in water.
Molecular structure data
Molecular property data:
1. Molar refractive index: 38.66
2. Molar volume (cm3/mol): 104.3
3. Isotonic specific volume (90.2K): 281.6
4. Surface tension (3.0 dyne/cm): 53.0
5 , Polarizability (0.5 10-24cm3): 15.32
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.4
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: 7
6. Topological molecule polar surface area 27
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 74.9
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 sealed and protected from light.
Synthesis method
This product is prepared by reacting o-nitrochlorobenzene with sodium sulfide and reducing the resulting disulfide.
Purpose
Intermediates of fosdil.
