Basic information
- CAS
6423-45-6- Standard SMILES
CC(O[N+](=O)[O-])C(C)O[N+](=O)[O-]- InChIKey
RVDDYBGRQLZMSB-UHFFFAOYSA-N- Molecular formula
- C4H8N2O6
- Average molar mass
- 180.12 g/mol
- Monoisotopic mass
- 180.03823598
Names & identifiers
- Preferred name
- Butane-2,3-diyl dinitrate
- IUPAC
- 3-nitrooxybutan-2-yl nitrate
- English name
- 2,3-Butanediol, dinitrate
- Molecular formula
- C4H8N2O6
- Molecular weight
- 180.12
Names & synonyms
6423-45-6Butane-2,3-diyl dinitrateDTXSID30982769RefChem:1080259DTXCID9014100252,3-Butanediol, dinitrate2,3-Butylene glycol dinitrate2,3-butandiol dinitrate2,3-butanediol dinitrateSCHEMBL7573943RVDDYBGRQLZMSB-UHFFFAOYSA-N2,3-Bis(nitrooxy)butane
Show more names
Dinitric acid 2,3-butanediyl2,3-Butanediol, 2,3-dinitrateDinitric acid butane-2,3-diyl ester
Database identifiers
- CAS
6423-45-6- PubChem CID
- 93031
- DTXSID
DTXSID30982769- Nikkaji
- J101.900G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
LogP2.36
Physicochemical properties
- Boiling point
- 216.6 · 216.6±13.0 °C(Predicted)
- Density
- 1.348 · 1.348±0.06 g/cm3(Predicted)
- Henry's Law Constant
- 1.2 · 1.2×10-1 mol/(m3Pa) at 25℃, Fischer and Ballschmiter (1998)
- Dielectric constant
- 28.8 · 28.800000000000001
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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