CAS 2419-73-0 2,3-Butanediol, 1,4-dichloro- (HCID 102809)

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Basic information

CAS: 2419-73-0
Standard SMILES: OC(CCl)C(O)CCl
InChIKey: SAUBRJOIKMVSRU-UHFFFAOYSA-N
Molecular formula: C4H8Cl2O2
Average molar mass: 159.01 g/mol
Monoisotopic mass: 157.99013486

Names & identifiers

Preferred name: 2,3-Butanediol, 1,4-dichloro-
IUPAC: 1,4-dichlorobutane-2,3-diol
English name: DL-1,4-Dichloro-2,3-butanediol
Molecular formula: C4H8Cl2O2
Molecular weight: 159.01

Names & synonyms

2419-73-02,3-Butanediol, 1,4-dichloro-EINECS 219-338-7AI3-61873DTXSID70870974RefChem:441923DTXCID308186501,4-Dichlorobutane-2,3-diolDL-1,4-Dichloro-2,3-butanediolMFCD000513087268-35-1meso-1,4-Dichloro-2,3-butanediol

Show more names

1,4-dichloro-3-butanediolDL-1,4-Dichloro-2,3-butanediol>DL-1,4-Dichloro-2,3-butanediol1,4-DICHLORO-2,3-BUTANEDIOL, 99% MIXT. OFDL- AND MESO1,4-Dichloro-2,3-butanediol, mixture of DL- and meso,99%

C4H8Cl2O21,4-DICHLORO-2,3-BUTANEDIOLSCHEMBL9655301,4-Dichlor-2,3-dioxybutanAS-92377SY054076SY117059CS-0179539

Database identifiers

CAS: 2419-73-0
PubChem CID: 102809
DTXSID: DTXSID70870974
EC Number: 219-338-7
Nikkaji: J80.482G

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 52

Physicochemical properties

Melting point: 77 °C · 77 °C
Boiling point: 152 °C · 152 °C / 30mmHg
Density: 1.3421 · 1.3421 (rough estimate)
refractive index: 1.4386 · 1.4386 (estimate)
storage temp.: Store at room temperature
pka: 12.75 · 12.75±0.20(Predicted)
form: powder to crystal
color: White to Almost white
EPA Substance Registry System: 2 · 2,3-Butanediol, 1,4-dichloro- (2419-73-0)
TSCA: TSCA listed
HS Code: 2905.59 · 2905.59.9000