N,N'-bis(4-nitrophenyl)methanediamine
Basic information
- CAS
39809-82-0- Standard SMILES
O=[N+]([O-])c1ccc(NCNc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
WJAVZYFSJAYPMZ-UHFFFAOYSA-N- Molecular formula
- C13H12N4O4
- Average molar mass
- 288.26 g/mol
- Monoisotopic mass
- 288.08585488
Overview
See also: N,N'-Methylenebis(4-nitroaniline) (annotation moved to).
Names & identifiers
- Preferred name
- N,N'-bis(4-nitrophenyl)methanediamine
- IUPAC
- N,N'-bis(4-nitrophenyl)methanediamine
- English name
- N,N'-Methylenebis(4-nitroaniline)
- Molecular formula
- C13H12N4O4
- Molecular weight
- 288.26
Names & synonyms
N,N'-bis(4-nitrophenyl)methanediamine39809-82-0SCHEMBL4955548DTXSID10398965N,N-bis(4-nitrophenyl)methanediamineAKOS024336438N,N'-METHYLENEBIS(4-NITROANILINE)N,N'-Methylenebis(4-nitroaniline)Methanediamine, N,N'-bis(4-nitrophenyl)-
Database identifiers
- CAS
39809-82-0- PubChem CID
- 4067017
- DTXSID
DTXSID10398965- Nikkaji
- J314.052K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Melting point
- 230 · 230-232 °C
- Boiling point
- 565.4 · 565.4±45.0 °C(Predicted)
- Density
- 1.467 · 1.467±0.06 g/cm3(Predicted)
- pka
- -0.51 · -0.51±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H302-H315-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
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)
- GHS07,GHS05
- Hazard statements
- H318-H302-H315-H335
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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