CAS 23474-98-8 2-Amino-5-chlorobenzenethiol (HCID 2737518)

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Basic information

CAS: 23474-98-8
Standard SMILES: Nc1ccc(Cl)cc1S
InChIKey: TYRZAGMAVZESQX-UHFFFAOYSA-N
Molecular formula: C6H6ClNS
Average molar mass: 159.64 g/mol
Monoisotopic mass: 158.99094787

Names & identifiers

Preferred name: 2-Amino-5-chlorobenzenethiol
IUPAC: 2-amino-5-chlorobenzenethiol
English name: 2-Amino-5-chlorothiophenol
Molecular formula: C6H6ClNS
Molecular weight: 159.64

Names & synonyms

2-amino-5-chlorobenzenethiolRefChem:464563636-606-223474-98-82-AMINO-5-CHLOROTHIOPHENOLBenzenethiol, 2-amino-5-chloro-2-amino-5-chlorobenzene-1-thiol2-amino-5-chloro-benzenethiolMFCD030947035-Chloro-2-aminobenzenethiol2-?Amino-?5-?chlorobenzenethiol (wetted with water ~50% w/w)2-Amino-5-chlorobenzenethiol; 2-Amino-5-chlorothiophenol; 4-Chloro-2-mercaptoaniline; 5-Chloro-2-aminobenzenethiol; 5-Chloro-2-aminothiophenol;

Show more names

BUTTPARK 35\02-182-Amino-5-chlorothiophenol98%2-Amino-5-chlorothiophenol 98%Benzenethiol,2-aMino-5-chloro-23474-98-8 2-AMINO-5-CHLOROTHIOPHENOL4-Chloro-2-thioaniline, 4-Chloro-2-mercaptoaniline

p-chloro-o-mercaptoanilineSCHEMBL1129162SCHEMBL10830359DTXSID30372106TYRZAGMAVZESQX-UHFFFAOYSA-NSBB066546AKOS000298992AB13353

Database identifiers

CAS: 23474-98-8
PubChem CID: 2737518
DTXSID: DTXSID30372106
EC Number: 636-606-2
Nikkaji: J1.021.696F

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 27 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 99.1

Experimental & physicochemical properties

SpringerMaterials PropertiesDiamagnetic susceptibility

Physicochemical properties

Melting point: 110 °C · 110 °C
Boiling point: 278 · 278.0±20.0 °C(Predicted)
Density: 1.372 · 1.372±0.06 g/cm3(Predicted)
pka: 7.77 · 7.77±0.10(Predicted)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 315 · H315-H318-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501
Hazard Codes: Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36/37/39
Hazard Note: Irritant

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2930909899
risk_code: 20/21/22-36/37/38
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39
Hazard statements: H315-H318-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501