4-fluorobutanoic Acid
Basic information
- CAS
462-23-7- Standard SMILES
O=C(O)CCCF- InChIKey
BDXSWIQVLYXSSU-UHFFFAOYSA-N- Molecular formula
- C4H7FO2
- Average molar mass
- 106.1 g/mol
- Monoisotopic mass
- 106.04300762
Names & identifiers
- Preferred name
- 4-fluorobutanoic Acid
- IUPAC
- 4-fluorobutanoic acid
- English name
- 4-Fluorobutyric acid
- Molecular formula
- C4H7FO2
- Molecular weight
- 106.1
Names & synonyms
4-fluorobutanoic Acid462-23-7DTXSID60274508RefChem:99011DTXCID10203489832-795-24-FLUOROBUTYRIC ACIDMFCD170146954-fluorobutanoicAcid4-fluoro-butyric acidSCHEMBL1031828SCHEMBL1031829
Show more names
4-FLUORO-BUTANOIC ACIDButanoic acid, 4-fluoro-4-fluorobutanoic acid - [F86783]
SCHEMBL8936674AKOS006380509FF77419PS-18544SY205598E88366EN300-243981F830690
Database identifiers
- CAS
462-23-7- PubChem CID
- 10411
- DTXSID
DTXSID60274508- EC Number
- 832-795-2
- Nikkaji
- J132.263J
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 62.7
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 120 °C · 120°C (rough estimate)
- Density
- 1.0753 · 1.0753 (estimate)
- refractive index
- 1.3993 · 1.3993
- solubility
- Chloroform, Methanol (Slightly)
- form
- Oil
- color
- Colourless
- Symbol(GHS)
- 7 · GHS07,GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 331 · H331-H319-H314-H301-H311-H335-H315
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501
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]
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, 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 CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05,GHS06
- Hazard statements
- H331-H319-H314-H301-H311-H335-H315
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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