Basic information
- CAS
3156-70-5- Standard SMILES
CC=C[N+](=O)[O-]- InChIKey
RIHXMHKNTLBIPJ-UHFFFAOYSA-N- Molecular formula
- C3H5NO2
- Average molar mass
- 87.08 g/mol
- Monoisotopic mass
- 87.0320284
Names & identifiers
- Preferred name
- 1-Nitro-1-propene
- IUPAC
- 1-nitroprop-1-ene
Names & synonyms
1-NITRO-1-PROPENERefChem:435048684-214-5nitropropeneSCHEMBL420901SCHEMBL9482003SCHEMBL10348306RIHXMHKNTLBIPJ-UHFFFAOYSA-N
Database identifiers
- CAS
3156-70-5- PubChem CID
- 18477
- DTXSID
DTXSID601317161- EC Number
- 684-214-5
Properties
Computed structural properties
- XLogP
- 0.9
- 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
- 71.4
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P321, P330, P333+P317, P342+P316, P362+P364, P403, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
1 records
Compound notes
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