Basic information
- CAS
72918-18-4- Standard SMILES
C=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1- InChIKey
CRKUWNMRJQROHR-UHFFFAOYSA-N- Molecular formula
- C8H6N2O4
- Average molar mass
- 194.14 g/mol
- Monoisotopic mass
- 194.03275668
Names & identifiers
- Preferred name
- 3,5-Dinitrostyrene
- IUPAC
- 1-ethenyl-3,5-dinitrobenzene
- English name
- 1,3-Dinitro-5-vinyl-benzene
- Molecular formula
- C8H6N2O4
- Molecular weight
- 194.14
Names & synonyms
3,5-Dinitrostyrene72918-18-4DTXSID70479880RefChem:271990DTXCID904306901-ETHENYL-3,5-DINITROBENZENE1,3-dinitro-5-vinylbenzeneSCHEMBL7595668CRKUWNMRJQROHR-UHFFFAOYSA-NAKOS006331311AKOS0159669661,3-Dinitro-5-vinyl-benzene
Show more names
Benzene, 1-ethenyl-3,5-dinitro-
Database identifiers
- CAS
72918-18-4- PubChem CID
- 12192553
- DTXSID
DTXSID70479880- Nikkaji
- J522.088B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Boiling point
- 303.9 · 303.9±35.0 °C(Predicted)
- Density
- 1.396 · 1.396±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
11 records
Compound notes
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