Basic information
- CAS
2826-30-4- Standard SMILES
N#CC(C#N)=Cc1ccccc1[N+](=O)[O-]- InChIKey
QGESGQINLPXOJL-UHFFFAOYSA-N- Molecular formula
- C10H5N3O2
- Average molar mass
- 199.17 g/mol
- Monoisotopic mass
- 199.03817641
Names & identifiers
- Preferred name
- Malononitrile, (o-nitrobenzylidene)-
- IUPAC
- 2-[(2-nitrophenyl)methylidene]propanedinitrile
- English name
- BRN 1960548
- Molecular formula
- C10H5N3O2
- Molecular weight
- 199.17
Names & synonyms
(2-Nitrobenzylidene)malononitrile2826-30-4MALONONITRILE, (o-NITROBENZYLIDENE)-NSC 52861BRN 1960548Propanedinitrile, ((2-nitrophenyl)methylene)-DTXSID801825101-09-00-00390 (Beilstein Handbook Reference)RefChem:351885DTXCID201050012-Nitrobenzalmalononitrile2-(2-Nitrobenzylidene)malononitrile
Show more names
o-Nitrobenzylidenemalononitrile2-Nitrobenzylidenemalononitrile2-(2-Nitrobenzylidene)propanedinitrile[(2-Nitrophenyl)methylene]malononitrilePropanedinitrile, 2-[(2-nitrophenyl)methylene]-
2-[(2-nitrophenyl)methylidene]propanedinitrile5FWF836MFDNSC-52861NSC637342NSC-637342[(2-Nitrophenyl)methylidene]propanedinitrile2-[(2-nitrophenyl)methylene]propanedinitrile(2-nitrobenzylidene)propanedinitrile
Database identifiers
- CAS
2826-30-4- PubChem CID
- 17796
- DTXSID
DTXSID80182510- UNII
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- Melting point
- 138.8 · 138.8-139.2 °C
- Boiling point
- 390.5 · 390.5±32.0 °C(Predicted)
- Density
- 1.37 · 1.370±0.06 g/cm3(Predicted)
- FDA UNII
- 5 FWF836MFD · 5FWF836MFD
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
天津康利欣科技有限公司18622939839 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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