Ethyl 2-bromo-4-(4-(trifluoromethyl)phenyl)thiazole-5-carboxylate
Basic information
- CAS
1188153-49-2- Standard SMILES
CCOC(=O)c1sc(Br)nc1-c1ccc(C(F)(F)F)cc1- InChIKey
GJROTGCXQSNRKG-UHFFFAOYSA-N- Molecular formula
- C13H9BrF3NO2S
- Average molar mass
- 380.18 g/mol
- Monoisotopic mass
- 378.94895
Names & identifiers
- Preferred name
- Ethyl 2-bromo-4-(4-(trifluoromethyl)phenyl)thiazole-5-carboxylate
- IUPAC
- ethyl 2-bromo-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
- English name
- 5-Thiazolecarboxylic acid, 2-broMo-4-[4-(trifluoroMethyl)phenyl]-, ethyl ester
- Molecular formula
- C13H9BrF3NO2S
- Molecular weight
- 380.18
Names & synonyms
1188153-49-2Ethyl 2-bromo-4-(4-(trifluoromethyl)phenyl)thiazole-5-carboxylateethyl 2-bromo-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylateEthyl 2-bromo-4-(4-(trifluoromethyl)-phenyl)thiazole-5-carboxylateethyl 2-bromo-4-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylateC13H9BrF3NO2SMFCD11220991DTXSID50694655Ethyl2-bromo-4-(4-(trifluoromethyl)phenyl)thiazole-5-carboxylateAKOS016006775AS-73558DB-061415
Show more names
2-Bromo-4-(4-trifluoromethyl-phenyl)-thiazole-5-carboxylic acid ethyl ester5-Thiazolecarboxylic acid, 2-broMo-4-[4-(trifluoroMethyl)phenyl]-, ethyl ester
CS-0061559W16944
Database identifiers
- CAS
1188153-49-2- PubChem CID
- 53399673
- DTXSID
DTXSID50694655
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Boiling point
- 412.9 · 412.9±45.0 °C(Predicted)
- Density
- 1.574 · 1.574±0.06 g/cm3(Predicted)
- pka
- -2.3 · -2.30±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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