3-Nitro-N-(phenylmethylene)benzenamine
Basic information
- CAS
5341-44-6- Standard SMILES
O=[N+]([O-])c1cccc(N=Cc2ccccc2)c1- InChIKey
HFGFPUPROHHWFT-UHFFFAOYSA-N- Molecular formula
- C13H10N2O2
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.07422757
Names & identifiers
- Preferred name
- 3-Nitro-N-(phenylmethylene)benzenamine
- IUPAC
- N-(3-nitrophenyl)-1-phenylmethanimine
- English name
- N-Benzylidene-m-nitroaniline
- Molecular formula
- C13H10N2O2
- Molecular weight
- 226.23
Names & synonyms
N-Benzylidene-3-nitroaniline3-Nitro-N-(phenylmethylene)benzenamineDTXSID401283966RefChem:504458DTXCID401714450654-445-6N-Benzylidene-m-nitroaniline5341-44-6N-(3-nitrophenyl)-1-phenylmethanimineBenzal-m-nitroanilineANILINE, N-BENZYLIDENE-m-NITRO-Benzenamine, 3-nitro-N-(phenylmethylene)-
Show more names
n-benzylidene-m-nitro-anilinN-(3-Nitrophenyl)benzenemethanimine3-nitro-n-(phenylmethylene)-benzenamin
3-Nitro-N-(benzylidene)anilineWLN: WNR CNU1RMLS002637613N-BENZYLIDENE-m-NITRO ANILINEBenzylidene-m-nitroanilineBenzylidene-(3-nitrophenyl)-amine3-Nitro-N-[(E)-phenylmethylidene]aniline #NSC 2099
Database identifiers
- CAS
5341-44-6- PubChem CID
- 21433
- DTXSID
DTXSID401283966- ChEMBL
CHEMBL2132649- EC Number
- 654-445-6
- Nikkaji
- J55.199F
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
- 280
Physicochemical properties
- Boiling point
- 367.84 °C · 367.84°C (rough estimate)
- Density
- 1.1975 · 1.1975 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Toxicity
- 250 mg/kg · LDLo ipr-mus: 250 mg/kg CBCCT* 6,52,1954
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
- Toxicity
- LDLo ipr-mus: 250 mg/kg CBCCT* 6,52,1954
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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