4-Fluoro-3'-(trifluoromethyl)benzanilide
Basic information
- CAS
2054-00-4- Standard SMILES
O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1- InChIKey
KQBKWPYXZQEBCF-UHFFFAOYSA-N- Molecular formula
- C14H9F4NO
- Average molar mass
- 283.22 g/mol
- Monoisotopic mass
- 283.06202656
Names & identifiers
- Preferred name
- 4-Fluoro-3'-(trifluoromethyl)benzanilide
- IUPAC
- 4-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
- English name
- 4-Fluoro-N-[3-(trifluoroMethyl)phenyl]benzaMide, 97%
- Molecular formula
- C14H9F4NO
- Molecular weight
- 283.22
Names & synonyms
4-FLUORO-3'-(TRIFLUOROMETHYL)BENZANILIDERefChem:523137667-706-44-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide2054-00-4HMS1394A01NSC204027Enamine_000001SCHEMBL5313393CHEMBL5270211SCHEMBL30447521DTXSID60308433
Show more names
Benzamide, 4-fluoro-N-[3-(trifluoromethyl)phenyl]-4-Fluoro-N-[3-(trifluoroMethyl)phenyl]benzaMide, 97%
KQBKWPYXZQEBCF-UHFFFAOYSA-NSTK362500AKOS001046211NSC-204027ST0297564-fluoro-N-[3-(trifluoromethyl)phenyl] benzamideZ28169802(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]carboxamide
Database identifiers
- CAS
2054-00-4- PubChem CID
- 306349
- DTXSID
DTXSID60308433- ChEMBL
CHEMBL5270211- EC Number
- 667-706-4
- Nikkaji
- J3.305.072K
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Melting point
- 130 · 130-132 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Boiling point
- 265.8 · 265.8±40.0 °C(Predicted)
- Density
- 1.374 · 1.374±0.06 g/cm3(Predicted)
- pka
- 12.85 · 12.85±0.70(Predicted)
- Comptox DTXSID
- 60308433 · DTXSID60308433
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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