Basic information
- CAS
462-74-8- Standard SMILES
O=CCCCF- InChIKey
FYLHRUFFEZANKX-UHFFFAOYSA-N- Molecular formula
- C4H7FO
- Average molar mass
- 90.1 g/mol
- Monoisotopic mass
- 90.04809301
Names & identifiers
- Preferred name
- Butanal, 4-fluoro-
- IUPAC
- 4-fluorobutanal
- English name
- 4-Fluorobutyraldehyde
- Molecular weight
- 0
Names & synonyms
4-Fluorobutanal462-74-8Butanal, 4-fluoro-BRN 1739310Butyraldehyde, 4-fluoro-DTXSID901967694-01-00-03237 (Beilstein Handbook Reference)RefChem:330426Butanal, 4-fluoro-(9CI)DTXCID801192604-FluorobutyraldehydeButanal, 4-fluoro- (9CI)
Show more names
4-Fluorobutanal hydrate
SCHEMBL834058SCHEMBL1048370SCHEMBL27975282SCHEMBL28214092EN300-1849646
Database identifiers
- CAS
462-74-8- PubChem CID
- 68043
- DTXSID
DTXSID90196769- Nikkaji
- J65.801D
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 36.5
Physicochemical properties
- Boiling point
- -105 °C · -105°C (rough estimate)
- Density
- 0.9682 · 0.9682 (estimate)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P261-P280
- HS Code
- 2913000090 · 2913000090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2913000090
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H226-H315-H319-H335
- Precautionary statements
- P210-P261-P280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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