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1004-00-8

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Basic Information
CAS No.: 1004-00-8
Name: 2-AMINO-4-CHLOROTHIOPHENOL
Article Data: 27
Cas Database
Molecular Structure:
Molecular Structure of 1004-00-8 (2-AMINO-4-CHLOROTHIOPHENOL)
Formula: C6H6ClNS
Molecular Weight: 159.639
Synonyms: 2-Amino-4-chlorobenzenethiol;4-Chloro-2-aminobenzothiol;4-Chloro-2-aminothiophenol;
Density: 1.372 g/cm3
Melting Point: 56-61 °C(lit.)
Boiling Point: 281.2 °C at 760 mmHg
Flash Point: 123.9 °C
Solubility: Practically insoluble in water
Appearance: Light yellow crystals
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
Transport Information: UN 3261 8/PG 3
PSA: 64.82000
LogP: 2.79210
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Chemistry


IUPAC Name: 2-Amino-4-chlorobenzenethiol
Canonical SMILES: C1=CC(=C(C=C1Cl)N)S
InChI: InChI=1S/C6H6ClNS/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2
InChIKey: NGIRMPARLVGMPX-UHFFFAOYSA-N
Molecular Weight: 159.63654 [g/mol]
Molecular Formula: C6H6ClNS
XLogP3: 2.4
H-Bond Donor: 1
H-Bond Acceptor: 1 
Sensitive: Stench 
Appearance: Light yellow crystals
Melting Point: 56-61 °C(lit.)
Index of Refraction: 1.672
Molar Refractivity: 43.55 cm3
Molar Volume: 116.2 cm3
Surface Tension: 55.5 dyne/cm
Density: 1.372 g/cm3
Flash Point: 123.9 °C
Enthalpy of Vaporization: 52 kJ/mol
Boiling Point: 281.2 °C at 760 mmHg
Vapour Pressure: 0.00361 mmHg at 25 °C
Product Categories of Benzenethiol,2-amino-4-chloro- (CAS NO.1004-00-8): Sulphur Derivatives; Phenol & Thiophenol & Mercaptan; Phenoles and thiophenoles; Organic Building Blocks; Sulfur Compounds; Thiols / Mercaptans

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
RIDADR: UN 3261 8/PG 3
WGK Germany: 3
Hazard Note of Benzenethiol,2-amino-4-chloro- (CAS NO.1004-00-8): Irritant / Stench

Specification

 Benzenethiol,2-amino-4-chloro- (CAS NO.1004-00-8), its Synonyms are 2-Amino-4-chlorobenzenethiol ; 2-Amino-4-chlorothiophenol ; 4-Chloro-2-aminothiophenol ; 4-Chloro-2-aminobenzothiol .