Basic information
- CAS
1947-59-7- Standard SMILES
O[C@H](CBr)[C@@H](O)CBr- InChIKey
XOWDQAHYPSENAC-ZXZARUISSA-N- Molecular formula
- C4H8Br2O2
- Average molar mass
- 247.91 g/mol
- Monoisotopic mass
- 245.8891
Names & identifiers
- Preferred name
- 2,3-Butanediol, 1,4-dibromo-, (R*,S*)-
- IUPAC
- (2S,3R)-1,4-dibromobutane-2,3-diol
- English name
- (2R,3S)-1,4-Dibromo-2,3-butanediol
- Molecular formula
- C4H8Br2O2
- Molecular weight
- 247.91
Names & synonyms
1947-59-72,3-Butanediol, 1,4-dibromo-, (R*,S*)-DTXSID601296729RefChem:1059304DTXCID101715635Dibromo-meso-erythritol(2R,3S)-1,4-Dibromo-2,3-butanediolDibrom-L-treitolNIOSH/KF2290000D,L-1,4-Dibromo-1,4-dideoxyerythritolKF22900000d,l-1,4-Dibrom-1,4-didesoxy-2,3-butanediol
Show more names
meso-1,4-dibromo-butane-2,3-diol2,3-Butanediol, 1,4-dibromo-, (R*,S*)- (9CI)
Erythritol, 1,4-dibromo-1,4-dideoxy-, D,L-(2S,3R)-1,4-dibromobutane-2,3-diolNSC 757201,4-Dibromo-1,4-dideoxy-meso-erythritolERYTHRITOL, 1,4-DIBROMO-1,4-DIDEOXY-, (meso)-(2R,3S)-1,4-dibromobutane-2,3-diol2,3-Butanediol, 1,4-dibromo-, (theta,S)-1,4-dideoxy-meso-erythritol
Database identifiers
- CAS
1947-59-7- PubChem CID
- 16042
- DTXSID
DTXSID601296729- Nikkaji
- J342.386G
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 52
Physicochemical properties
- Melting point
- 136 · 136-137.5 °C
- Boiling point
- 365.3 · 365.3±42.0 °C(Predicted)
- Density
- 2.124 · 2.124±0.06 g/cm3(Predicted)
- pka
- 12.49 · 12.49±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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