2-Nitroethyl nitrate
Basic information
- CAS
4528-34-1- Standard SMILES
O=[N+]([O-])CCO[N+](=O)[O-]- InChIKey
FRXFYZJACNONHT-UHFFFAOYSA-N- Molecular formula
- C2H4N2O5
- Average molar mass
- 136.06 g/mol
- Monoisotopic mass
- 136.01202123
Names & identifiers
- Preferred name
- 2-Nitroethyl nitrate
- IUPAC
- 2-nitroethyl nitrate
- English name
- 2-Nitroethanol nitrate
- Molecular formula
- C2H4N2O5
- Molecular weight
- 136.06
Names & synonyms
2-Nitroethyl nitrateNitroethyl nitrateETHANOL, 2-NITRO-, NITRATE (ester)4528-34-12-Nitroethanol nitrateEthanol, 2-nitro-, nitrateNitroethyl nitrate [Forbidden]nitric acid 2-nitro-ethyl esterSCHEMBL29157582DTXSID60196458FRXFYZJACNONHT-UHFFFAOYSA-NEthanol, 2-nitro-, 1-nitrate
Database identifiers
- CAS
4528-34-1- PubChem CID
- 20623
- DTXSID
DTXSID60196458- Nikkaji
- J78.159B
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 111
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 250.28 °C · 250.28°C (rough estimate)
- refractive index
- 1.4264 · 1.4264 (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
DOT Hazard Classification
Nitroethyl nitrate
Forbidden explosives/materials (49 eCFR § 173.54/§ 173.21)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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