4,4'-Methylenebis(2-nitroaniline)
Basic information
- CAS
17474-44-1- Standard SMILES
Nc1ccc(Cc2ccc(N)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]- InChIKey
WJLPZRZKWVPCMN-UHFFFAOYSA-N- Molecular formula
- C13H12N4O4
- Average molar mass
- 288.26 g/mol
- Monoisotopic mass
- 288.08585488
Names & identifiers
- Preferred name
- 4,4'-Methylenebis(2-nitroaniline)
- IUPAC
- 4-[(4-amino-3-nitrophenyl)methyl]-2-nitroaniline
- English name
- 4,4'-methylenebis[2-nitroaniline]
- Molecular formula
- C13H12N4O4
- Molecular weight
- 288.26
Names & synonyms
4,4'-Methylenebis(2-nitroaniline)17474-44-14-[(4-amino-3-nitrophenyl)methyl]-2-nitroaniline[4-(4-amino-3-nitrobenzyl)-2-nitrophenyl]amineLV43SY8L8EEINECS 241-489-2MFCD00168261UNII-LV43SY8L8EBenzenamine, 4,4'-methylenebis[2-nitro-4,4/'-methylenebis[2-nitroaniline]NSC-525981Benzenamine, 4,4'-methylenebis(2-nitro-
Show more names
Disperse Yellow 6SKL477C.I.Disperse Yellow 6:C.I.103224,4'-methylenebis[2-nitroaniline]4,4'-Methylenebis(2-nitrobenzenamine)4-[(4-amino-3-nitro-phenyl)methyl]-2-nitro-aniline
4,4'-diamino-3,3'-dinitrodiphenylmethaneF0266-0198NSC5259813,3'-dinitro-4,4'-diaminodiphenylmethaneSCHEMBL2929031SCHEMBL30989211DTXSID70169895WJLPZRZKWVPCMN-UHFFFAOYSA-N
Database identifiers
- CAS
17474-44-1- PubChem CID
- 87127
- DTXSID
DTXSID70169895- UNII
- LV43SY8L8E
- EC Number
- 241-489-2
- Nikkaji
- J287.062B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- Melting point
- 222 · 222-224 °C
- Boiling point
- 559 · 559.0±45.0 °C(Predicted)
- Density
- 1.462 · 1.462±0.06 g/cm3(Predicted)
- pka
- 0.34 · 0.34±0.25(Predicted)
- FDA UNII
- 43 SY8L8E · LV43SY8L8E
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Preparation methods
Preparation2-Nitrobenzenamine (2 Moore) and Formaldehyde(1 Moore) condensation
Upstream & downstream products
Upstream raw materials
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…