4-(3-Fluoro-5-(trifluoromethyl)phenyl)-1,3-thiazol-2-amine

HCID 17774635

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Basic information

CAS: 682738-42-7
Standard SMILES: Nc1nc(-c2cc(F)cc(C(F)(F)F)c2)cs1
InChIKey: UKJQCMKGJGFQFQ-UHFFFAOYSA-N
Molecular formula: C10H6F4N2S
Average molar mass: 262.23 g/mol
Monoisotopic mass: 262.01878202

Names & identifiers

Preferred name: 4-(3-Fluoro-5-(trifluoromethyl)phenyl)-1,3-thiazol-2-amine
IUPAC: 4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

Names & synonyms

4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine682738-42-74-(3-fluoro-5-(trifluoromethyl)phenyl)-1,3-thiazol-2-amineRefChem:513241995-496-74-(3-Fluoro-5-(trifluoromethyl)phenyl)thiazol-2-amine4-[3-Fluoro-5-(trifluoromethyl)phenyl]thiazol-2-amineSCHEMBL474188MFCD30294132SY482418EN300-1928656

Database identifiers

CAS: 682738-42-7
PubChem CID: 17774635
EC Number: 995-496-7

Properties

Computed structural propertiesFilling in

XLogP: 3.3
Topological polar surface area: 67.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 274

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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.