4-Nitrobenzylamine
Basic information
- CAS
7409-30-5- Standard SMILES
NCc1ccc([N+](=O)[O-])cc1- InChIKey
ODVBBZFQPGORMJ-UHFFFAOYSA-N- Molecular formula
- C7H8N2O2
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.0585775
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 4-Nitrobenzylamine
- IUPAC
- (4-nitrophenyl)methanamine
- English name
- 4-nitrobenzylamine
- Molecular formula
- C7H8N2O2
- Molecular weight
- 152.15
Names & synonyms
4-Nitrobenzylamine7409-30-5para-NitrobenzylamineDTXSID50224996RefChem:100057DTXCID80147487(4-nitrophenyl)methanamine1-((4-Nitrophenyl))methanamineP-NITRO-BENZYLAMINEBenzenemethanamine, 4-nitro-1-(4-nitrophenyl)methanamineCHEMBL1235374
Show more names
1-((4-Nitrophenyl)4-Nitrobenzenemethanamine(4-Nitrophenylmethyl)amine4-nitrobenzylamine ISO 9001：2015 REACH
p-nitrobenzylamineMFCD03411004PNZ4-nitro-benzylamine4-nitrobenzyl aminebenzylamine, 4-nitro-(4-nitro-benzyl)-amineSCHEMBL354332
Database identifiers
- CAS
7409-30-5- PubChem CID
- 29147
- DTXSID
DTXSID50224996- ChEMBL
CHEMBL1235374- Nikkaji
- J221.245E
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Experimental & physicochemical properties
LogP1.06
Physicochemical properties
- Melting point
- 117 · 117-119℃
- Boiling point
- 298 ℃ · 298℃
- Density
- 1.254 · 1.254
- Flash point
- 134 ℃ · 134℃
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 8.36 · 8.36±0.10(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314
- Precautionary statements
- 260 · P260-P264-P270-P280-P301+P312-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-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.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302-H314
- Precautionary statements
- P260-P264-P270-P280-P301+P312-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
Related reactions
70 records
Compound notes
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