Nitroethene
Basic information
- CAS
3638-64-0- Standard SMILES
C=C[N+](=O)[O-]- InChIKey
RPMXALUWKZHYOV-UHFFFAOYSA-N- Molecular formula
- C2H3NO2
- Average molar mass
- 73.05 g/mol
- Monoisotopic mass
- 73.01637834
Overview
Nitroethene is a nitroalkene having ethenyl as the alkene portion.
Names & identifiers
- Preferred name
- Nitroethene
- IUPAC
- 1-nitroethene
- English name
- Nitroethylene
- Molecular formula
- C2H3NO2
- Molecular weight
- 73.05
Names & synonyms
NitroethyleneNitroetheneEthene, nitro-CH2=CHNO2DTXSID0075235CHEBI:51131RefChem:166092DTXCID8039166InChI=1/C2H3NO2/c1-2-3(4)5/h2H,1H3638-64-01-nitroethene1-nitroethylene
Show more names
NitroethyLNitroethylene(Nitroethene)nitroethene (2.0M in toluene)Nitroethylene(2.0M in toluene)NITROBENZENDICARBOXYLATE,DIMETHYL
1-Nitroethene (~ 1 mole/L in Toluene)26618-70-2Ethene, nitro- (9CI)Ethylene, nitro-SCHEMBL362SCHEMBL3497357UX2R356BGSCHEMBL1119170
Database identifiers
- CAS
3638-64-0- PubChem CID
- 77197
- DTXSID
DTXSID0075235- ChEBI
CHEBI:51131- UNII
- 7UX2R356BG
- EC Number
- 687-643-6
- Nikkaji
- J149.597F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 53.2
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Melting point
- -55.5 °C · -55.5°C
- Boiling point
- 98.55 °C · 98.55°C
- Density
- 1.2212 · 1.2212
- refractive index
- 1.4282 · 1.4282
- solubility
- soluble in Chloroform, Methanol, Toluene
- form
- Colourless to Light Yellow Solution
- InChI
- InChI=1S/C2H3NO2/c1-2-3(4)5/h2H,1H2
- InChIKey
- RPMXALUWKZHYOV-UHFFFAOYSA-N
- SMILES
- C=C[N+]([O-])=O
- CAS DataBase Reference
- 3638 · 3638-64-0
- NIST Chemistry Reference
- Nitroethylene(3638-64-0)
- EPA Substance Registry System
- Ethene, nitro- (3638-64-0)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesNitroethylene is the simplest ntiroalkene and serves as a useful intermediate for the production of various chemicals and pharmaceutical goods.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: A nitroalkene having ethenyl as the alkene portion.
Suppliers
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Related reactions
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Compound notes
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