4-Fluorobutan-1-ol
Basic information
- CAS
372-93-0- Standard SMILES
OCCCCF- InChIKey
SHOBGSRUFRALBO-UHFFFAOYSA-N- Molecular formula
- C4H9FO
- Average molar mass
- 92.11 g/mol
- Monoisotopic mass
- 92.06374307
Names & identifiers
- Preferred name
- 4-Fluorobutan-1-ol
- IUPAC
- 4-fluorobutan-1-ol
- English name
- 4-FLUORO-1-BUTANOL
- Molecular formula
- C4H9FO
- Molecular weight
- 92.11
Names & synonyms
4-FLUORO-1-BUTANOL4-fluorobutan-1-olRefChem:523417836-238-4372-93-04-Fluorobutanol1-BUTANOL, 4-FLUORO-MFCD000395554-Fluoro-butan-1-olomega-FluorobutanolBRN 1697078Butanol, fluoro-(mix)
Show more names
4-fluoro-1-butano1-fluoro-4-hydroxybutane
SCHEMBL96488SCHEMBL96489CHEMBL4450925SCHEMBL12004281SCHEMBL13725672SCHEMBL27946948SCHEMBL28029888DTXSID60190698
Database identifiers
- CAS
372-93-0- PubChem CID
- 9755
- DTXSID
DTXSID60190698- ChEMBL
CHEMBL4450925- EC Number
- 836-238-4
- Nikkaji
- J42.078F
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 23.5
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Boiling point
- 129.36 °C · 129.36°C (rough estimate)
- Density
- 0.9025 · 0.9025 (estimate)
- refractive index
- 1.3942 · 1.3942
- storage temp.
- Store at room temperature
- form
- liquid
- pka
- 15 · 15.00±0.10(Predicted)
- color
- Colourless
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H302-H315-H319-H335
- Precautionary statements
- 210 · P210-P261-P280
- HS Code
- 2905599890 · 2905599890
- Toxicity
- 50 · mouse,LD50,intraperitoneal,900ug/kg (0.9mg/kg),Journal of Organic Chemistry. Vol. 21, Pg. 739, 1956.
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, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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%)
Safety data
- hs_code
- 2905599890
- Toxicity
- mouse,LD50,intraperitoneal,900ug/kg (0.9mg/kg),Journal of Organic Chemistry. Vol. 21, Pg. 739, 1956.
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H226-H302-H315-H319-H335
- Precautionary statements
- P210-P261-P280
Chemistry & industry
Applications
Uses4-FLUORO-1-BUTANOL is a fluorinated butanol used as a reagent in the preparation of a wide array of organic compounds.
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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