Basic information
- CAS
918-52-5- Standard SMILES
CC(CO)([N+](=O)[O-])[N+](=O)[O-]- InChIKey
IPLRZPREFHIGIB-UHFFFAOYSA-N- Molecular formula
- C3H6N2O5
- Average molar mass
- 150.09 g/mol
- Monoisotopic mass
- 150.02767129
Names & identifiers
- Preferred name
- 2,2-Dinitropropanol
- IUPAC
- 2,2-dinitropropan-1-ol
- English name
- 2,2-dinitropropanol
- Molecular formula
- C3H6N2O5
- Molecular weight
- 150.09014
Names & synonyms
2,2-Dinitropropanol2,2-Dinitro-1-propanol918-52-51-Propanol, 2,2-dinitro-EINECS 213-043-7NSC 17694BRN 1841531DTXSID60526112,2Dinitro1propanol1Propanol, 2,2dinitroRefChem:441489DTXCID0031184
Show more names
DNPOH
213-043-7NPOH2,2-dinitropropan-1-ol1-Propanol,2-dinitro-WLN: WNX1&1QNWSCHEMBL1700893NSC17694NSC-17694
Database identifiers
- CAS
918-52-5- PubChem CID
- 70194
- DTXSID
DTXSID6052611- EC Number
- 213-043-7
- Nikkaji
- J35.479A
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 141
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitros, Aliphatic
Physicochemical properties
- Boiling point
- 271.59 °C · 271.59°C (rough estimate)
- Density
- 1.8068 · 1.8068 (rough estimate)
- refractive index
- 1.4715 · 1.4715 (estimate)
- Stability
- Unknown, but likely to be unstable, possibly explosively so.
- EPA Substance Registry System
- 1 · 1-Propanol, 2,2-dinitro- (918-52-5)
- TSCA
- TSCA listed
Safety & regulation
Hazard information
Hazards SummaryIntraperitoneal LD50 (mouse) = 280 mg/kg; [RTECS] See 2-Methyl-2-nitro-1-propanol. See 2-Nitropropane.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanol, 2,2-dinitro-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers4 total
SelectLab Chemicals GmbH+49-(0)2383-919350 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
11 records
Compound notes
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