Basic information
- CAS
5913-06-4- Standard SMILES
O=C(C(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1- InChIKey
SGKVXDKTNJHBCA-UHFFFAOYSA-N- Molecular formula
- C14H8N2O6
- Average molar mass
- 300.22 g/mol
- Monoisotopic mass
- 300.03823598
Names & identifiers
- Preferred name
- 1,2-Bis(3-nitrophenyl)-1,2-ethanedione
- IUPAC
- 1,2-bis(3-nitrophenyl)ethane-1,2-dione
- English name
- 1,2-Bis(m-nitrophenyl)ethane-1,2-dione
- Molecular formula
- C14H8N2O6
- Molecular weight
- 300.22
Names & synonyms
5913-06-4Benzil, 3,5'-dinitro-1,2-Bis(3-nitrophenyl)-1,2-ethanedioneDTXSID902078691,2-bis{3-nitrophenyl}-1,2-ethanedioneRefChem:1052179DTXCID901303601,2-bis(3-nitrophenyl)ethane-1,2-dione3,3'-Dinitrobenzil3,5'-DinitrobenzilEthanedione, bis(3-nitrophenyl)-3,5//'-Dinitrobenzil
Show more names
1,2-Ethanedione, 1,2-bis(3-nitrophenyl)-
Bis(m-nitrophenyl)ethanedionebis(3-nitrophenyl)ethane-1,2-dioneNSC408976Benzil,5'-dinitro-NSC 408976BRN 20036201,2-Bis(m-nitrophenyl)ethane-1,2-dioneAI3-61771
Database identifiers
- CAS
5913-06-4- PubChem CID
- 101375
- DTXSID
DTXSID90207869- ChEMBL
CHEMBL191796- Nikkaji
- J41.322D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 437
Physicochemical properties
- Melting point
- 108.5 · 108.5-109.0 °C
- Boiling point
- 255 °C · 255 °C
- Density
- 1.471 · 1.471±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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