Basic information
- CAS
595-49-3- Standard SMILES
CC(C)([N+](=O)[O-])[N+](=O)[O-]- InChIKey
DHPRWWYQIUXCQM-UHFFFAOYSA-N- Molecular formula
- C3H6N2O4
- Average molar mass
- 134.09 g/mol
- Monoisotopic mass
- 134.03275668
Names & identifiers
- Preferred name
- 2,2-Dinitropropane
- IUPAC
- 2,2-dinitropropane
- English name
- 2,2-Dinitropropane
- Molecular formula
- C3H6N2O4
- Molecular weight
- 134.09
Names & synonyms
2,2-Dinitropropane595-49-3DTXSID30208198NSC 16157RefChem:81110DTXCID50130689Propane, 2,2-dinitro-NSC16157Propane,2-dinitro-2,2-dinitro-propaneSCHEMBL1119156SCHEMBL6745903
Show more names
NSC-16157
Database identifiers
- CAS
595-49-3- PubChem CID
- 136385
- DTXSID
DTXSID30208198- Nikkaji
- J136.503G
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 125
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitros, Aliphatic
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Melting point
- 53 °C · 53°C
- Boiling point
- 185.55 °C · 185.55°C
- Density
- 1.3 · 1.3000
- refractive index
- 1.4497 · 1.4497 (estimate)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee 2-Nitropropane.
Chemistry & industry
Suppliers1 total
上海宝杨宝欣生物科技有限公司021-56698539 19921169802 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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