Basic information
- CAS
453-16-7- Standard SMILES
OCC(O)CF- InChIKey
PQDNJBQKAXAXBQ-UHFFFAOYSA-N- Molecular formula
- C3H7FO2
- Average molar mass
- 94.08 g/mol
- Monoisotopic mass
- 94.04300762
Overview
structure in first source
Names & identifiers
- Preferred name
- 3-Fluoro-1,2-propanediol
- IUPAC
- 3-fluoropropane-1,2-diol
Names & synonyms
3-Fluoro-1,2-propanediol453-16-7NSC-213062G32SR5VBHDTXSID10941218RefChem:501566DTXCID401369661630-612-91,2-Propanediol, 3-fluoro-3-fluoropropane-1,2-diol1,2-Propanediol,3-fluoro-MFCD00075515
Show more names
1947-57-5C3H7FO2NSC213061, 3-fluoro-1-deoxy-1-fluoroglycerolWLN: F1YQ1QWLN: Q1YQ1FSCHEMBL1217198
Database identifiers
- CAS
453-16-7- PubChem CID
- 1657
- DTXSID
DTXSID10941218- ChEMBL
CHEMBL3276496- UNII
- 2G32SR5VBH
- EC Number
- 630-612-9
- Nikkaji
- J90.909B
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
- 32
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, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
5 records
Compound notes
Loading…