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Substance Name: Butylchloral hydrate
RN: 76-40-4
UNII: 90FG67M3EK
InChIKey: QVYLNOUOIXTUGA-UHFFFAOYSA-N

Molecular Formula

  • C4-H7-Cl3-O2

Molecular Weight

  • 193.456
 
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Names and Synonyms

Name of Substance

  • Butylchloral hydrate

Synonyms

  • EINECS 200-958-1
  • UNII-90FG67M3EK

Systematic Name

  • 2,2,3-Trichlorobutane-1,1-diol

Registry Numbers

CAS Registry Number

  • 76-40-4

FDA UNII

  • 90FG67M3EK

System Generated Number

  • 0000076404

Structure Descriptors

InChI

1S/C4H7Cl3O2/c1-2(5)4(6,7)3(8)9/h2-3,8-9H,1H3

InChIKey

QVYLNOUOIXTUGA-UHFFFAOYSA-N

Smiles

C([C@@H](C)Cl)(C(O)O)(Cl)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.890 (none)   EST
Water Solubility 2.63E+04 mg/L 20 EXP
Vapor Pressure 2.52E-03 mm Hg 25 EST
Henry's Law Constant 1.01E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.45E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.