Basic information
- CAS
462-24-8- Standard SMILES
O=[N+]([O-])CCCF- InChIKey
VTLREOOVLIJFTN-UHFFFAOYSA-N- Molecular formula
- C3H6FNO2
- Average molar mass
- 107.08 g/mol
- Monoisotopic mass
- 107.0382566
Names & identifiers
- Preferred name
- Propane, 3-fluoro-1-nitro-
- IUPAC
- 1-fluoro-3-nitropropane
- English name
- 3-Fluoro-1-nitropropane
- Molecular formula
- C3H6FNO2
- Molecular weight
- 107.08
Names & synonyms
3-Fluoro-1-nitropropane1-fluoro-3-nitropropane462-24-8Propane, 3-fluoro-1-nitro-BRN 1746676DTXSID20196757RefChem:868848DTXCID60119248959-155-6SCHEMBL8767986SCHEMBL28004380EN300-1854008
Show more names
Propane, 1-fluoro-3-nitro-
Database identifiers
- CAS
462-24-8- PubChem CID
- 68040
- DTXSID
DTXSID20196757- EC Number
- 959-155-6
- Nikkaji
- J90.361B
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 60.4
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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