Basic information
- CAS
1314777-65-5- Standard SMILES
CC(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F- InChIKey
YBLUIYFXRGYDJF-UHFFFAOYSA-N- Molecular formula
- C9H6F3NO3
- Average molar mass
- 233.14 g/mol
- Monoisotopic mass
- 233.02997754
Names & identifiers
- Preferred name
- 1-(4-Nitro-2-(trifluoromethyl)phenyl)ethanone
- IUPAC
- 1-[4-nitro-2-(trifluoromethyl)phenyl]ethanone
Names & synonyms
1-(4-Nitro-2-(trifluoromethyl)phenyl)ethanone1314777-65-51-[4-nitro-2-(trifluoromethyl)phenyl]ethanone4'-NITRO-2'-(TRIFLUOROMETHYL)ACETOPHENONESCHEMBL20568110SCHEMBL29928895YBLUIYFXRGYDJF-UHFFFAOYSA-NMFCD132501791-(4-Nitro-2-trifluoromethyl-phenyl)-ethanoneEN300-257617541-[4-nitro-2-(trifluoromethyl)phenyl]ethan-1-one
Database identifiers
- CAS
1314777-65-5- PubChem CID
- 56972244
- EC Number
- 173-122-6
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 297
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
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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