Basic information
- CAS
1613-94-1- Standard SMILES
O=[N+]([O-])c1ccc(N=Cc2ccccc2)cc1- InChIKey
NYJOAZXGKLCRSV-UHFFFAOYSA-N- Molecular formula
- C13H10N2O2
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.07422757
Names & identifiers
- Preferred name
- N-Benzylidene-4-nitroaniline
- IUPAC
- N-(4-nitrophenyl)-1-phenylmethanimine
- English name
- benzylidene-(4-nitrophenyl)amine
- Molecular formula
- C13H10N2O2
- Molecular weight
- 226.23
Names & synonyms
N-Benzylidene-4-nitroanilineRefChem:829252654-423-6N-(4-nitrophenyl)-1-phenylmethanimineBenzenamine, 4-nitro-N-(phenylmethylene)-785-81-969173-79-1Benzylidene-(4-nitrophenyl)-amine1613-94-1p-nitrobenzalanilineNSC96633Benzyliden-4-nitroanilin
Show more names
N-Benzylidene-p-nitroanilinebenzylidene-(4-nitrophenyl)amineN-(4-nitrophenyl)-1-phenyl-methanimine
Benzenamine, 4-nitro-N-(phenylmethylene)-, (E)-SCHEMBL1876224SCHEMBL1876228NYJOAZXGKLCRSV-UHFFFAOYSA-NDTXSID501379196DTXSID901377116MFCD00024644NSC-96633
Database identifiers
- CAS
1613-94-1、69173-79-1、785-81-9- PubChem CID
- 144342
- DTXSID
DTXSID501379196- EC Number
- 654-423-6
- Nikkaji
- J328.245G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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]
P264, P270, P301+P317, P330, and P501 (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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…