Basic information
- CAS
299-70-7- Standard SMILES
O[C@H](CBr)[C@H](O)CBr- InChIKey
XOWDQAHYPSENAC-QWWZWVQMSA-N- Molecular formula
- C4H8Br2O2
- Average molar mass
- 247.91 g/mol
- Monoisotopic mass
- 245.8891
Names & identifiers
- Preferred name
- (2s,3s)-1,4-Dibromobutane-2,3-diol
- IUPAC
- (2S,3S)-1,4-dibromobutane-2,3-diol
- English name
- 1,4-Dibromo-2,3-butanediol
- Molecular formula
- C4H8Br2O2
- Molecular weight
- 247.91
Names & synonyms
(2s,3s)-1,4-dibromobutane-2,3-diol299-70-7(+/-)-1,4-DIBROMO-2,3-BUTANEDIOL(D,L)-1,4-Dibromo-2,3-butanediolRel-(2R,3R)-1,4-dibromobutane-2,3-diol(+,-)-1,4-Dibromo-2,3-dihydroxybutane2,3-Butanediol, 1,4-dibromo-, (theta,theta)-(+/-)-XOWDQAHYPSENAC-QWWZWVQMSA-NDTXSID001351240MFCD00151324NSC 757211,4-Dibromo-2,3-butanediol, 95%
Show more names
DL-1,4-DIBROMO-2,3-BUTANEDIOLDL-1,4-Dibromo-2,3-butanediol,95%2,3-Butanediol, 1,4-dibromo-, (2R,3R)-rel-1,4-dibromo-,(theta,theta)-(+/-)-3-butanediol
Database identifiers
- CAS
299-70-7- PubChem CID
- 98502
- DTXSID
DTXSID001351240- Nikkaji
- J661.870G
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
- 82 · 82-84 °C(lit.)
- Boiling point
- 365.335 · 365.335±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.8897 · 1.8897 (rough estimate)
- refractive index
- 1.523 · 1.5230 (estimate)
- pka
- 12.487 · 12.487±0.20(predicted)
- Hazard Codes
- Xi
- Risk Statements
- 37 · 37/38-41
- Safety Statements
- 26 · 26-39
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- risk_code
- 37/38-41
- hazard_code
- Xi
- safety_code
- 26-39
Chemistry & industry
Suppliers7 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
江西伯业医药科技有限公司027-18971341812/18971341812 18971341812 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
陕西西化化学工业有限公司18161915376 · [email protected]
江西伯业医药科技有限公司15387090420 15387090420 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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