Basic information
- CAS
26946-33-8- Standard SMILES
Nc1ccc(Cc2ccc(N)cc2[N+](=O)[O-])c([N+](=O)[O-])c1- InChIKey
KENYTAOVAUETRB-UHFFFAOYSA-N- Molecular formula
- C13H12N4O4
- Average molar mass
- 288.26 g/mol
- Monoisotopic mass
- 288.08585488
Names & identifiers
- Preferred name
- 4,4'-Methylenebis(3-nitroaniline)
- IUPAC
- 4-[(4-amino-2-nitrophenyl)methyl]-3-nitroaniline
- English name
- 4,4'-DIAMINO-2,2'-DINITRODIPHENYLMETHANE
- Molecular formula
- C13H12N4O4
- Molecular weight
- 288.26
Names & synonyms
4,4'-Methylenebis(3-nitroaniline)26946-33-84-[(4-amino-2-nitrophenyl)methyl]-3-nitroanilineMFCD00007264Aniline, 4,4'-methylenebis(3-nitro-4,4'-Diamino-2,2'-dinitrodiphenylmethaneCCRIS 1013EINECS 248-125-1Benzenamine, 4,4'-methylenebis(3-nitro-NSC106077Benzenamine,4,4'-methylenebis[3-nitro-Oprea1_479895
Show more names
AKOS AUF02020CHEMBRDG-BB 51010804,4'-methylenebis(m-nitroaniline)4,4'-Methylenebis[3-nitrobenzenamine]Benzenamine, 4,4'-methylenebis[3-nitro-[4-(4-amino-2-nitro-benzyl)-3-nitro-phenyl]amine4,4'-methylenebis(3-nitroaniline)(SALTDATA: FREE)
Oprea1_819385CBDivE_001430SCHEMBL1351968SCHEMBL29389163DTXSID10181435KENYTAOVAUETRB-UHFFFAOYSA-NSTK2091614,4''-Methylenebis(3-nitroaniline)
Database identifiers
- CAS
26946-33-8- PubChem CID
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- 202 °C · 202 °C
- Boiling point
- 543.8 · 543.8±45.0 °C(Predicted)
- Density
- 1.462 · 1.462±0.06 g/cm3(Predicted)
- pka
- 3.03 · 3.03±0.25(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-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
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…