Basic information
- CAS
477334-30-8- Standard SMILES
O=C(CCNc1ccc(C(F)(F)F)cc1)c1cccs1- InChIKey
GJNLYEHFXAAXPH-UHFFFAOYSA-N- Molecular formula
- C14H12F3NOS
- Average molar mass
- 299.31 g/mol
- Monoisotopic mass
- 299.05916967
Names & identifiers
- Preferred name
- 1-(2-Thienyl)-3-(4-(trifluoromethyl)anilino)-1-propanone
- IUPAC
- 1-thiophen-2-yl-3-[4-(trifluoromethyl)anilino]propan-1-one
Names & synonyms
477334-30-81-(2-thienyl)-3-[4-(trifluoromethyl)anilino]-1-propanone1-(2-THIENYL)-3-(4-(TRIFLUOROMETHYL)ANILINO)-1-PROPANONERefChem:422670650-952-11-(thiophen-2-yl)-3-{[4-(trifluoromethyl)phenyl]amino}propan-1-one1-thiophen-2-yl-3-[4-(trifluoromethyl)anilino]propan-1-oneMFCD03934762AKOS005108683JS-25591-(2-thienyl)-3-[4-(trifluoromethyl)anilino]propan-1-one
Database identifiers
- CAS
477334-30-8- PubChem CID
- 3614865
- EC Number
- 650-952-1
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 327
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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