CAS 133046-46-5 Ethyl 2-(trifluoromethyl)-1,3-thiazole-4-carboxylate (HCID 20079591)

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Basic information

CAS: 133046-46-5
Standard SMILES: CCOC(=O)c1csc(C(F)(F)F)n1
InChIKey: WFUNYBAJYAWHLX-UHFFFAOYSA-N
Molecular formula: C7H6F3NO2S
Average molar mass: 225.19 g/mol
Monoisotopic mass: 225.00713409

Names & identifiers

Preferred name: Ethyl 2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
IUPAC: ethyl 2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
English name: 4-Thiazolecarboxylicacid,2-(trifluoromethyl)-,ethylester(9CI)
Molecular formula: C7H6F3NO2S
Molecular weight: 225.19

Names & synonyms

133046-46-5ethyl 2-(trifluoromethyl)-1,3-thiazole-4-carboxylateDTXSID80602208RefChem:342545DTXCID70552965891-088-7Ethyl 2-(trifluoromethyl)thiazole-4-carboxylateMFCD105682984-Thiazolecarboxylic acid, 2-(trifluoromethyl)-, ethyl ester2-Trifluoromethyl-thiazole-4-carboxylic acid ethyl esterSCHEMBL14316682-(trifluoromethylthiazole)-4-carboxylic acid ethyl ester

Show more names

4-Thiazolecarboxylicacid,2-(trifluoroMethyl)-,ethylester4-Thiazolecarboxylicacid,2-(trifluoromethyl)-,ethylester(9CI)

SBB096803AKOS015852870AS-5424CS-W006131FE93048SB32852AC-27143SY047905

Database identifiers

CAS: 133046-46-5
PubChem CID: 20079591
DTXSID: DTXSID80602208
EC Number: 891-088-7

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 67.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 221

Physicochemical properties

Melting point: 49 · 49-50°
Boiling point: 194.8 · 194.8±40.0 °C(Predicted)
Density: 1.407 · 1.407±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: -2.54 · -2.54±0.10(Predicted)
Appearance: 50 °C · White to yellow 50°C Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2934208090 · 2934208090

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, 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.