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1193-02-8

Basic Information
CAS No.: 1193-02-8
Name: 4-Aminothiophenol
Article Data: 56
Molecular Structure:
Molecular Structure of 1193-02-8 (4-Aminothiophenol)
Formula: C6H7NS
Molecular Weight: 125.194
Synonyms: Benzenethiol,p-amino- (6CI,7CI,8CI);4-Aminobenzenethiol;p-Aminobenzenethiol;4-Mercaptoaniline;4-Mercaptobenzenamine;p-Aminophenylmercaptan;p-Aminophenylthiol;p-Aminothiophenol;p-Mercaptoaniline;Benzenethiol, 4-amino-;
EINECS: 214-763-4
Density: 1.2 g/cm3
Melting Point: 37-42 °C(lit.)
Boiling Point: 262.272 °C at 760 mmHg
Flash Point: 112.418 °C
Solubility: Immiscible with water.
Appearance: yellow crystalline low melting mass
Hazard Symbols: CorrosiveC
Risk Codes: 34-37
Safety: 26-28-36/37/39-45-25-27
Transport Information: UN 3263 8/PG 2
PSA: 64.82000
LogP: 2.13870
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    1193-02-8

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Chemistry


IUPAC Name: 4-Aminobenzenethiol
Canonical SMILES: C1=CC(=CC=C1N)S
InChI: InChI=1S/C6H7NS/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2
InChIKey: WCDSVWRUXWCYFN-UHFFFAOYSA-N
Molecular Weight: 125.19148 [g/mol]
Molecular Formula: C6H7NS
XLogP3: 1.3
H-Bond Donor: 1
H-Bond Acceptor: 1 
EINECS: 214-763-4
Product Categories: Sulphur Derivatives; Phenol & Thiophenol & Mercaptan; Phenoles and thiophenoles; Miscellaneous 
storage temp.: 2-8 °C
Sensitive: Stench 
Index of Refraction: 1.663
Molar Refractivity: 38.66 cm3
Molar Volume: 104.3 cm3
Surface Tension: 53 dyne/cm
Density: 1.2 g/cm3
Flash Point: 112.4 °C
Enthalpy of Vaporization: 50 kJ/mol
Boiling Point: 262.3 °C at 760 mmHg
Vapour Pressure: 0.011 mmHg at 25 °C
Water Solubility: 7300 mg/L at 25 °C 
Appearance: yellow crystalline low melting mass
Melting Point: 37-42 °C(lit.)
Classification Code of p-Aminobenzenethiol (CAS NO.1193-02-8): Mutation data

Uses

  p-Aminobenzenethiol (CAS NO.1193-02-8) is used as a pesticide, medicine and dyes intermediates.   

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 42200ug/kg (42.2mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
mouse LDLo oral 320mg/kg (320mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.
quail LD50 oral 42200ug/kg (42.2mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Poison by ingestion. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and SOx.
Hazard Codes:CorrosiveC
Risk Statements:
R34:Causes burns.
R37:Irritating to the respiratory system.
Safety Statements:
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S25:Avoid contact with eyes .
S27:Take off immediately all contaminated clothing .
RIDADR: UN 3263 8/PG 2
WGK Germany: 3
RTECS: DC0602500
F: 10-13-23
Hazard Note: Corrosive/Stench
HazardClass: 8
PackingGroup of p-Aminobenzenethiol (CAS NO.1193-02-8): III

Specification

 p-Aminobenzenethiol (CAS NO.1193-02-8), its Synonyms are 4-Aminobenzenethiol ; 4-Aminothiophenol ; 4-Mercaptoaniline ; Benzenethiol, 4-amino- ; Benzenethiol, 4-amino- (9CI) ; Benzenethiol, p-amino- ; p-Aminophenylmercaptan ; p-Aminothiophenol ; p-Mercaptoaniline .