4-(2-Chlorophenyl)-1,3-thiazol-2-amine

HCID 224764CAS 21344-90-1

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1nc(-c2ccccc2Cl)cs1
InChIKey: GWXQQHVBVMLZLU-UHFFFAOYSA-N
Molecular formula: C9H7ClN2S
Average molar mass: 210.68 g/mol
Monoisotopic mass: 210.0018469

Names & identifiers

Preferred name: 4-(2-Chlorophenyl)-1,3-thiazol-2-amine
IUPAC: 4-(2-chlorophenyl)-1,3-thiazol-2-amine
English name: 4-(2-CHLORO-PHENYL)-THIAZOL-2-YLAMINE
Molecular formula: C9H7ClN2S
Molecular weight: 210.68

Names & synonyms

4-(2-chlorophenyl)-1,3-thiazol-2-amineDTXSID00279638RefChem:512367DTXCID30230792822-842-521344-90-14-(2-Chlorophenyl)thiazol-2-amine2-Amino-4-(2-chlorophenyl)thiazole4-(2-Chloro-phenyl)-thiazol-2-ylamineMFCD013153522-Thiazolamine, 4-(2-chlorophenyl)-MLS002638324

Show more names

NSC 13534AURORA 22577AKOS B000318BUTTPARK 41\03-43AKOS BBS-000079814-(2-Chlorophenyl)ART-CHEM-BB B000318

2-Amino-4-(2-chlorophenyl)-1,3-thiazole4-(2-chlorophenyl)-1,3-thiazole-2-ylamine2-Thiazolamine, 4-(chlorophenyl)-NSC135344-(2-chlorophenyl)-2-Thiazolaminethiazol-2-amine, 14Maybridge1_003438CBMicro_021761

Database identifiers

CAS: 21344-90-1
PubChem CID: 224764
DTXSID: DTXSID00279638
ChEMBL: CHEMBL1703118
EC Number: 822-842-5
Nikkaji: J2.473.256H

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 67.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 179

Physicochemical properties

Melting point: 132 · 132-138°C
Boiling point: 371.1 · 371.1±17.0 °C(Predicted)
Density: 1.389 · 1.389±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: Solid
pka: 4.15 · 4.15±0.50(Predicted)
Appearance: White to yellow Solid
Symbol(GHS): 8 · GHS08
Signal word: Warning
Hazard statements: 317 · H317-H351b-H372
Precautionary statements: 201 · P201-P202-P260-P264b-P270-P272-P280g-P302+P352-P308+P313-P363-P403-P501c
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2934100090 · 2934100090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2934100090
Signal word: Warning
Symbol(GHS): GHS08
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H317-H351b-H372
Precautionary statements: P201-P202-P260-P264b-P270-P272-P280g-P302+P352-P308+P313-P363-P403-P501c