Basic information
- CAS
353-13-9- Standard SMILES
N#CCCCCF- InChIKey
TZKGRFZSJHYEOY-UHFFFAOYSA-N- Molecular formula
- C5H8FN
- Average molar mass
- 101.12 g/mol
- Monoisotopic mass
- 101.06407742
Names & identifiers
- Preferred name
- 5-Fluoropentanenitrile
- IUPAC
- 5-fluoropentanenitrile
- English name
- 5-Fluorovaleronitrile
- Molecular formula
- C5H8FN
- Molecular weight
- 101.12
Names & synonyms
5-fluoropentanenitrile353-13-9Valeronitrile, 5-fluoro-5-FluorovaleronitrilePentanenitrile, 5-fluoro-BRN 1742078SCHEMBL29193296DTXSID60188797TZKGRFZSJHYEOY-UHFFFAOYSA-NEN300-383272
Database identifiers
- CAS
353-13-9- PubChem CID
- 67703
- DTXSID
DTXSID60188797- EC Number
- 116-003-6
- Nikkaji
- J49.628F
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 71.4
Physicochemical properties
- Boiling point
- 158 °C · 158°C (rough estimate)
- Density
- 0.9762 · 0.9762 (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.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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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