1,4-Dibromobutane-2,3-diol

HCID 98512CAS 14396-65-7

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Basic information

Standard SMILES: OC(CBr)C(O)CBr
InChIKey: XOWDQAHYPSENAC-UHFFFAOYSA-N
Molecular formula: C4H8Br2O2
Average molar mass: 247.914 g/mol
Monoisotopic mass: 245.8891037

Names & identifiers

Preferred name: 1,4-Dibromobutane-2,3-diol
IUPAC: 1,4-Dibromobutane-2,3-diol
English name: 1,4-Dibromo-2,3-butanediol
Molecular formula: C4H8Br2O2
Molecular weight: 247.91

Names & synonyms

1,4-DIBROMO-2,3-BUTANDIOL1,4-Dibromobutane-2,3-diol1,4-Dibromo-2,3-butanediol1,4-DIBROMO-2,3-BUTANEDIOI2,3-Butanediol, 1,4-dibromo-DL-1,4-DIBROMO-2,3-BUTANEDIOL1,4-DibroMo-2,3-butanediol 95%1,4-DibroMo-2,3-butanediol

Database identifiers

CAS: 14396-65-7、15410-44-3
PubChem CID: 98512
DTXSID: DTXSID20861852
EC Number: 627-179-3
Nikkaji: J803.180K

Properties

Physicochemical properties

Melting point: 82 · 82-84 °C (lit.)
Boiling point: 365.3 · 365.3±42.0 °C(Predicted)
Density: 2.124 · 2.124±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: solid
pka: 12.49 · 12.49±0.20(Predicted)
InChI: 1S/C4H8Br2O2/c5-1-3(7)4(8)2-6/h3-4,7-8H,1-2H2/t3-,4-/m1/s1
InChIKey: XOWDQAHYPSENAC-QWWZWVQMSA-N
SMILES: BrCC(O)C(O)CBr
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 315 · H315-H318-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 37 · 37/38-41
Safety Statements: 26 · 26-39
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Irrit. 2STOT SE 3

Safety & regulation

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
risk_code: 37/38-41
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi
safety_code: 26-39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H318-H335
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P305+P351+P338

Chemistry & industry

Applications

Uses1,4-Dibromo-2,3-butanediol has been used in the preparation of diquaternary gemini surfactants.

General Description1,4-Dibromo-2,3-butanediol reacts with aqueous alkaline sodium arsenite to yield mixture of DL-2,3,4-trihydroxybutylarsonic acid and DL-2,3-dihydroxybutane-1,4-bis(arsonic acid).