4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde

HCID 2782899CAS 438577-61-8

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Basic information

Standard SMILES: Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C=O
InChIKey: TULJSSOBHAIERD-UHFFFAOYSA-N
Molecular formula: C12H8F3NOS
Average molar mass: 271.26 g/mol
Monoisotopic mass: 271.02786954

Names & identifiers

Preferred name: 4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde
IUPAC: 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde
English name: 4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOLE-5-CARBALDEHYDE
Molecular formula: C12H8F3NOS
Molecular weight: 271.26

Names & synonyms

438577-61-84-methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carbaldehyde4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehydeMFCD041154044-Methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxaldehyde4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carbaldehydeSCHEMBL3371805SCHEMBL6211715DTXSID503823435-Thiazolecarboxaldehyde, 4-methyl-2-[4-(trifluoromethyl)phenyl]-AKOS005072238DB-0719

Show more names

4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carbaldehyd...5-Thiazolecarboxaldehyde,4-Methyl-2-[4-(trifluoroMethyl)phenyl]-4-Methyl-2-(4-trifluoroMethylphenyl)-1,3-thiazole-5-carboxaldehyde

DB-004761F2371474-Methyl-2-(4-trifluoromethyl-phenyl)-thiazole-5-carbaldehyde4-methyl-2-(4-trifluoromethylphenyl)-1,3-thiazole-5-carbaldehyde

Database identifiers

CAS: 438577-61-8
PubChem CID: 2782899
DTXSID: DTXSID50382343
Nikkaji: J2.663.037A

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 58.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 302

Physicochemical properties

Melting point: 114 · 114-115°C
storage temp.: 2 · 2-8°C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Hazard Codes: Xi,Xn,T
Risk Statements: 36 · 36/37/38-20/21/22-43-25
Safety Statements: 26 · 26-36/37/39-22-45-36/37
HazardClass: IRRITANT
HS Code: 2934100090 · 2934100090