2-Fluoro-1,3-propanediol
Basic information
- CAS
453-09-8- Standard SMILES
OCC(F)CO- InChIKey
NWIQTMVDEWDMAM-UHFFFAOYSA-N- Molecular formula
- C3H7FO2
- Average molar mass
- 94.08 g/mol
- Monoisotopic mass
- 94.04300762
Names & identifiers
- Preferred name
- 2-Fluoro-1,3-propanediol
- IUPAC
- 2-fluoropropane-1,3-diol
- English name
- Brn 1732049
- Molecular formula
- C3H7FO2
- Molecular weight
- 94.08
Names & synonyms
2-fluoropropane-1,3-diol2-Fluoro-1,3-propanediol453-09-82-Deoxy-2-fluoroglycerol1,3-Propanediol, 2-fluoro-DTXSID40963362RefChem:86719DTXCID201391121992-460-2BRN 1732049MFCD01697961NSC 21306
Show more names
DL-1-Deoxyfluoroglycerol4-01-00-02499 (Beilstein Handbook Reference)DL-3-Fluoro-1,2-propanediolSCHEMBL2382240SCHEMBL2382246NWIQTMVDEWDMAM-UHFFFAOYSA-N1,2-Propanediol, 3-fluoro-, DL-AT19575
Database identifiers
- CAS
453-09-8、453-16-7- PubChem CID
- 67986
- DTXSID
DTXSID40963362- EC Number
- 992-460-2
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 28
Physicochemical properties
- Boiling point
- 223.3 · 223.3±20.0 °C(Predicted)
- Density
- 1.192 · 1.192±0.06 g/cm3(Predicted)
- pka
- 13.43 · 13.43±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P302+P352-P362+P364
- HS Code
- 2905599890 · 2905599890
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]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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
- hs_code
- 2905599890
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P302+P352-P362+P364
Chemistry & industry
Applications
Uses2-Fluoropropanediol is an intermediate in the synthesis of 1,3-Dibromo-2-fluoropropane (B112000), a common side product of the fluoroalkylation of benzene via sulphur tetrafluoride with 1,3-dihaloketones.
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Related reactions
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Compound notes
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