4-(Chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

HCID 2736625

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Basic information

CAS: 135873-35-7
Standard SMILES: FC(F)(F)c1ccc(-c2nc(CCl)cs2)cc1
InChIKey: QOWNNZROJKFRSK-UHFFFAOYSA-N
Molecular formula: C11H7ClF3NS
Average molar mass: 277.69 g/mol
Monoisotopic mass: 276.99398256

Names & identifiers

Preferred name: 4-(Chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
IUPAC: 4-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
English name: 4-(Chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
Molecular formula: C11H7ClF3NS
Molecular weight: 277.69

Names & synonyms

4-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazoleDTXSID003714894-(chloromethyl)-2-(4-(trifluoromethyl)phenyl)-1,3-thiazoleRefChem:515576DTXCID10322523978-038-0135873-35-74-(Chloromethyl)-2-[4-(trifluoromethyl)phenyl]thiazoleMFCD002772084-Chloromethyl-2-[4-(trifluoromethyl)phenyl]thiazole4-(Chloromethyl)-2-(4-(trifluoromethyl)phenyl)thiazole4-chloromethyl-2-(4-trifluoromethyl-phenyl)-thiazole

Show more names

Chloromethyltrifluoromethylphenylthiazole4-[4-(Chloromethyl)-1,3-thiazol-2-yl]benzotrifluoride4-(CHLOROMETHYL)-2-[4-(TRIFLUOROMETHYL)PHENYL]-THIAZOLEThiazole, 4-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-4-(Chloromethyl)-2-[4-(trifluoromethyl)phenyl]thiazole95+%4-(Chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole 95+%

SCHEMBL2236881AKOS001372557PS-10637DB-042322EN300-27103G41721Z235344765

Database identifiers

CAS: 135873-35-7
PubChem CID: 2736625
DTXSID: DTXSID00371489
EC Number: 978-038-0

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 41.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 254

Physicochemical properties

Melting point: 80 °C · 80 °C
Boiling point: 345.7 · 345.7±52.0 °C(Predicted)
Density: 1.398 · 1.398±0.06 g/cm3(Predicted)
pka: 0 · -0+-.0.10(Predicted)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 280 · P280-P405-P309+P311
Hazard Codes: C
Hazard Note: Corrosive
HS Code: 2934100090 · 2934100090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.