2-Bromo-1,3-propanediol
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Basic information
- CAS
4704-87-4- Standard SMILES
OCC(Br)CO- InChIKey
HULFLYYUFHXCLJ-UHFFFAOYSA-N- Molecular formula
- C3H7BrO2
- Average molar mass
- 154.99 g/mol
- Monoisotopic mass
- 153.96294
Names & identifiers
- Preferred name
- 2-Bromo-1,3-propanediol
- IUPAC
- 2-bromopropane-1,3-diol
- English name
- 2-Bromo-1,3-propanediol
- Molecular formula
- C3H7BrO2
- Molecular weight
- 154.99
Names & synonyms
2-Bromo-1,3-propanediol4704-87-4DTXSID40436849RefChem:256741DTXCID703876732-bromopropane-1,3-diolGlycerol |A-BromohydrinGlycerol b-bromohydrinGlycerol ss-Bromohydrin;2-bromo-1 ,3-propanediolSCHEMBL3419520SCHEMBL10486808
Show more names
1,3-Propanediol, 2-bromo-
FB19045DB-313588
Database identifiers
- CAS
4704-87-4- PubChem CID
- 10219554
- DTXSID
DTXSID40436849- Nikkaji
- J40.454C
Properties
Computed structural propertiesFilling in
- XLogP
- -0.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 28
Physicochemical properties
- Boiling point
- 136 · 136-138 °C(Press: 21 Torr)
- Density
- 1.7868 g/cm3 · 1.7868 g/cm3
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 13.57 · 13.57±0.10(Predicted)
- form
- Oil to Low-Melting Solid
- color
- Colourless to Yellow
- Stability
- Temperature sensitive
Chemistry & industry
Applications
Uses2-Bromo-1,3-propanediol is used for isolating bases by means of Reinecke's salt.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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