O-aminothiophenol

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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.