2-Nitro-1-propene
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Basic information
- CAS
4749-28-4- Standard SMILES
C=C(C)[N+](=O)[O-]- InChIKey
GXEXLSDIVMVEFZ-UHFFFAOYSA-N- Molecular formula
- C3H5NO2
- Average molar mass
- 87.08 g/mol
- Monoisotopic mass
- 87.0320284
Names & identifiers
- Preferred name
- 2-Nitro-1-propene
- IUPAC
- 2-nitroprop-1-ene
- English name
- 2-Nitropropene
- Molecular formula
- C3H5NO2
- Molecular weight
- 87.08
Names & synonyms
Propene, 2-nitro-4749-28-42-nitro-1-propeneDTXSID70197158RefChem:1063924DTXCID801196492-Nitropropene2-nitroprop-1-ene2-nitro-prop-1-ene2-NitropropyleneTL 1147BRN 1209319
Show more names
TL-11471-Propene, 2-nitro-
2-nitro-propene4-01-00-00764 (Beilstein Handbook Reference)SCHEMBL1117804SCHEMBL3512221SCHEMBL16114314GXEXLSDIVMVEFZ-UHFFFAOYSA-NAKOS006279013
Database identifiers
- CAS
4749-28-4- PubChem CID
- 78486
- DTXSID
DTXSID70197158- Nikkaji
- J51.037H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 81.3
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 65 · 65-67 °C
- Boiling point
- 130.87 °C · 130.87°C (rough estimate)
- Density
- 1.0559 · 1.0559
- refractive index
- 1.4358 · 1.4358
- color
- Highly lachrymatory yellowish-green liquid
Chemistry & industry
Applications
UsesUsed for Michael addition to afford 1,4-diketones, furans, and pyrroles, and an electrophilic reagent for α-keto cation in the Friedel-Crafts reaction.
Related reactions
18 records
Compound notes
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