Basic information
- CAS
314053-91-3- Standard SMILES
O=C(Nc1ccccc1C(F)(F)F)c1ccccc1[N+](=O)[O-]- InChIKey
MORUOUXZJAHZBA-UHFFFAOYSA-N- Molecular formula
- C14H9F3N2O3
- Average molar mass
- 310.23 g/mol
- Monoisotopic mass
- 310.05652664
Names & identifiers
- Preferred name
- 2-nitro-N-[2-(trifluoromethyl)phenyl]benzamide
- IUPAC
- 2-nitro-N-[2-(trifluoromethyl)phenyl]benzamide
- English name
- 314053-91-3
- Molecular formula
- C14H9F3N2O3
- Molecular weight
- 310.23
Names & synonyms
2-nitro-N-[2-(trifluoromethyl)phenyl]benzamide5354-60-92-NITRO-N-(2-(TRIFLUOROMETHYL)PHENYL)BENZAMIDESCHEMBL1964469DTXSID40968296MORUOUXZJAHZBA-UHFFFAOYSA-NEX-A6449STK022756AKOS001604063ST010754AB00082533-01SR-01000406883
Show more names
Benzamide, 2-nitro-N-[2-(trifluoromethyl)phenyl]-
SR-01000406883-1(2-nitrophenyl)-N-[2-(trifluoromethyl)phenyl]carboxamide2-Nitro-N-[2-(trifluoromethyl)phenyl]benzene-1-carboximidic acid314053-91-3
Database identifiers
- CAS
314053-91-3、5354-60-9- PubChem CID
- 710759
- DTXSID
DTXSID40968296- EC Number
- 169-487-6
- Nikkaji
- J2.225.816H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 423
Physicochemical properties
- Melting point
- 179 · 179-180 °C(Solv: chloroform (67-66-3))
- Boiling point
- 339.6 · 339.6±42.0 °C(Predicted)
- Density
- 1.452 · 1.452±0.06 g/cm3(Predicted)
- pka
- 11.67 · 11.67±0.70(Predicted)
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, 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 CategoriesSkin Sens. 1 (100%)
Chemistry & industry
Suppliers1 total
上海林栎生物科技有限公司13761635123 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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