Basic information
- CAS
1018-78-6- Standard SMILES
N#CC1=C(C#N)C(=O)c2ccccc2C1=O- InChIKey
KIAJWKWOKTWTIZ-UHFFFAOYSA-N- Molecular formula
- C12H4N2O2
- Average molar mass
- 208.17 g/mol
- Monoisotopic mass
- 208.02727738
Names & identifiers
- Preferred name
- 2,3-Dicyano-1,4-naphthoquinone
- IUPAC
- 1,4-dioxonaphthalene-2,3-dicarbonitrile
- English name
- 2,3-Dicyano-1,4-naphthoquinone
- Molecular formula
- C12H4N2O2
- Molecular weight
- 208.17
Names & synonyms
1018-78-62,3-DICYANO-1,4-NAPHTHOQUINONE2,3-Naphthalenedicarbonitrile, 1,4-dihydro-1,4-dioxo-SVI4RD590RUNII-SVI4RD590RNSC 146588NSC-146588DTXSID001441902,3-CYANO-1,4-NAPHTHOQUINONE1,4-NAPHTHOQUINONE-2,3-DICARBONITRILE1,4-DIHYDRO-1,4-DIOXO-2,3-NAPHTHALENEDICARBONITRILERefChem:197323
Show more names
1,4-diketonaphthalene-2,3-dicarbonitrile
DTXCID30666811,4-dioxo-1,4-dihydronaphthalene-2,3-dicarbonitrile1,4-dioxonaphthalene-2,3-dicarbonitrileSCHEMBL187098SCHEMBL29496222NSC1465881,4-dioxo-naphthalene-2,3-dicarbonitrile
Database identifiers
- CAS
1018-78-6- PubChem CID
- 98547
- DTXSID
DTXSID00144190- UNII
- SVI4RD590R
- Nikkaji
- J510.014C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 452
Physicochemical properties
- Melting point
- 278 · 278-279 °C (decomp)
- Boiling point
- 334.9 · 334.9±42.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- FDA UNII
- 4 RD590R · SVI4RD590R
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海安娅医药科技有限公司19106202509 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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