3-Chloro-N-(3-nitrobenzylidene)-aniline
Basic information
- CAS
10480-27-0- Standard SMILES
O=[N+]([O-])c1cccc(C=Nc2cccc(Cl)c2)c1- InChIKey
OVBDZJKHSCHXBO-UHFFFAOYSA-N- Molecular formula
- C13H9ClN2O2
- Average molar mass
- 260.67 g/mol
- Monoisotopic mass
- 260.0352552
Names & identifiers
- Preferred name
- 3-Chloro-N-(3-nitrobenzylidene)-aniline
- IUPAC
- N-(3-chlorophenyl)-1-(3-nitrophenyl)methanimine
- English name
- N-(3-Chlorophenyl)-3-nitrobenzenemethanimine
- Molecular formula
- C13H9ClN2O2
- Molecular weight
- 260.68
Names & synonyms
3-CHLORO-N-(3-NITROBENZYLIDENE)-ANILINERefChem:500411653-587-610480-27-0N-(3-chlorophenyl)-1-(3-nitrophenyl)methanimineNSC204479DTXSID40308496AKOS024333477NSC-204479(E)-N-(3-Chlorophenyl)-1-(3-nitrophenyl)methaniminem-Chloro-N-(m-nitrobenzylidene)anilineN-(3-Chlorophenyl)-3-nitrobenzenemethanimine
Show more names
Benzenamine, 3-chloro-N-[(3-nitrophenyl)methylene]-
Database identifiers
- CAS
10480-27-0- PubChem CID
- 306791
- DTXSID
DTXSID40308496- EC Number
- 653-587-6
- Nikkaji
- J307.501J
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Melting point
- 101 · 101-104 °C
- Boiling point
- 421.4 · 421.4±30.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 2.19 · 2.19±0.50(Predicted)
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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