Basic information
- CAS
1578-56-9- Standard SMILES
CCCC(F)C(=O)O- InChIKey
AAYYJYDNERMSOZ-UHFFFAOYSA-N- Molecular formula
- C5H9FO2
- Average molar mass
- 120.12 g/mol
- Monoisotopic mass
- 120.05865769
Names & identifiers
- Preferred name
- 2-Fluoropentanoic acid
- IUPAC
- 2-fluoropentanoic acid
- English name
- 2-Fluorovaleric acid
- Molecular formula
- C5H9FO2
- Molecular weight
- 120.12
Names & synonyms
2-fluoropentanoic acidRefChem:472645964-637-42-Fluorovaleric acid1578-56-9Valeric acid, 2-fluoro-Pentanoic acid, 2-fluoro-NSC-87252NSC 87252BRN 1903269fluoropentanoic acidE6W5FKZ2ZK
Show more names
NCIOpen2_001228SCHEMBL1707222SCHEMBL6592572AAYYJYDNERMSOZ-UHFFFAOYSA-NNSC87252AKOS006377058AT48843EN300-1218306
Database identifiers
- CAS
1578-56-9- PubChem CID
- 98181
- UNII
- E6W5FKZ2ZK
- EC Number
- 964-637-4
- Nikkaji
- J40.785B
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 82.5
Physicochemical properties
- Boiling point
- 90 · 90.0-90.5 °C(Press: 12 Torr)
- Density
- 1.0907 g/cm3 · 1.0907 g/cm3
- pka
- 2.7 · 2.70±0.20(Predicted)
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403, P403+P233, 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. 4 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
常州协丰医药研发有限公司519-85601385 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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