Methyl 4-fluoro-2-hydroxybutanoate
Basic information
- CAS
63904-99-4- Standard SMILES
COC(=O)C(O)CCF- InChIKey
NECLRVWWJVIMBL-UHFFFAOYSA-N- Molecular formula
- C5H9FO3
- Average molar mass
- 136.12 g/mol
- Monoisotopic mass
- 136.05357231
Names & identifiers
- Preferred name
- Methyl 4-fluoro-2-hydroxybutanoate
- IUPAC
- methyl 4-fluoro-2-hydroxybutanoate
- English name
- 4-Fluoro-2-hydroxybutyric acid methyl ester
- Molecular formula
- C5H9FO3
- Molecular weight
- 136.12
Names & synonyms
methyl 4-fluoro-2-hydroxybutanoate63904-99-4DTXSID20980850RefChem:816411DTXCID901408123882-035-94-Fluoro-2-hydroxybutyric acid methyl esterTL 1333Methyl gamma-fluoro-beta-hydroxybutyrateButyric acid, gamma-fluoro-beta-hydroxy-, methyl esterBUTYRIC ACID, 4-FLUORO-2-HYDROXY-, METHYL ESTERSCHEMBL22805132
Show more names
TL-1333Butanoic acid, 4-fluoro-2-hydroxy-, methyl ester
DB-305930EN300-1844537
Database identifiers
- CAS
63904-99-4- PubChem CID
- 45064
- DTXSID
DTXSID20980850- EC Number
- 882-035-9
- Nikkaji
- J67.377C
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 94.2
Physicochemical properties
- Boiling point
- 186.9 · 186.9±20.0 °C(Predicted)
- Density
- 1.1278 · 1.1278 (estimate)
- pka
- 12.53 · 12.53±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H227-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H227-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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