N-benzyl-2-nitrobenzamide
Completing data — refresh the page later to see the latest
Basic information
- CAS
52745-10-5- Standard SMILES
O=C(NCc1ccccc1)c1ccccc1[N+](=O)[O-]- InChIKey
MMWHBIQCFGNKCY-UHFFFAOYSA-N- Molecular formula
- C14H12N2O3
- Average molar mass
- 256.26 g/mol
- Monoisotopic mass
- 256.08479225
Names & identifiers
- Preferred name
- N-benzyl-2-nitrobenzamide
- IUPAC
- N-benzyl-2-nitrobenzamide
- English name
- N-benzyl-2-nitrobenzamide
- Molecular formula
- C14H12N2O3
- Molecular weight
- 256.26
Names & synonyms
N-benzyl-2-nitrobenzamide52745-10-5DTXSID30350227RefChem:363295DTXCID50301296MFCD00432683Benzamide, 2-nitro-N-(phenylmethyl)-N-BENZYL-2-NITRO-BENZAMIDECBMicro_014070Cambridge id 5214053Oprea1_062805Oprea1_489502
Show more names
ST055019ARONIS019353ZINC00038750BIM-0014056.P0012-nitro-N-(phenylmethyl)benzamide
SCHEMBL19246188SCHEMBL30236290ALBB-023213SMSF0004596(2-nitrophenyl)-N-benzylcarboxamideSTK042204AKOS000486192CB09001
Database identifiers
- CAS
52745-10-5- PubChem CID
- 675871
- DTXSID
DTXSID30350227- EC Number
- 158-663-8
- Nikkaji
- J3.663.957A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, 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%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…