Basic information
- CAS
1367959-32-7- Standard SMILES
CC(=O)c1ccc(C(F)(F)F)s1- InChIKey
XJBFXBLFFYCAMG-UHFFFAOYSA-N- Molecular formula
- C7H5F3OS
- Average molar mass
- 194.18 g/mol
- Monoisotopic mass
- 194.00132044
Names & identifiers
- Preferred name
- 1-[5-(Trifluoromethyl)thiophen-2-yl]ethan-1-one
- IUPAC
- 1-[5-(trifluoromethyl)thiophen-2-yl]ethanone
Names & synonyms
1367959-32-71-(5-(Trifluoromethyl)thiophen-2-yl)ethan-1-one1-[5-(trifluoromethyl)thiophen-2-yl]ethan-1-oneRefChem:426176867-320-8MFCD220609661-[5-(trifluoromethyl)thiophen-2-yl]ethanoneSCHEMBL13295221XJBFXBLFFYCAMG-UHFFFAOYSA-NAKOS022698749AS-438551-[5-(trifluoromethyl)-2-thienyl]ethanone
Show more names
EN300-391804F537493
Database identifiers
- CAS
1367959-32-7- PubChem CID
- 23543740
- EC Number
- 867-320-8
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 190
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, 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, P370+P378, P403, 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.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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