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Substance Name: 4-Chloro-1-butanol
RN: 928-51-8
UNII: 42EI3I5AY0
InChIKey: HXHGULXINZUGJX-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C4-H9-Cl-O

Molecular Weight

  • 108.567
 
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Names and Synonyms

Name of Substance

  • 4-Chloro-1-butanol

Synonyms

  • 4-01-00-01550 (Beilstein Handbook Reference)
  • 4-Chlorbutan-1-ol
  • 4-Chlorbutan-1-ol [German]
  • 4-Chloro-1-butane-ol
  • 4-Chloro-1-butanol
  • 4-Chlorobutanol
  • AI3-14616
  • BRN 1731408
  • CCRIS 7507
  • EINECS 213-175-5
  • NSC 10810
  • Tetramethylene chlorohydrin
  • UNII-42EI3I5AY0

Systematic Names

  • 1-Butanol, 4-chloro-
  • 4-Chlorobutan-1-ol

Registry Numbers

CAS Registry Number

  • 928-51-8

FDA UNII

  • 42EI3I5AY0

System Generated Number

  • 0000928518

Structure Descriptors

InChI

1S/C4H9ClO/c5-3-1-2-4-6/h6H,1-4H2

InChIKey

HXHGULXINZUGJX-UHFFFAOYSA-N

Smiles

C(CCCl)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 100mg/kg (100mg/kg)   Journal of Organic Chemistry. Vol. 21, Pg. 739, 1956.
mouse LD50 oral 990mg/kg (990mg/kg) LIVER: OTHER CHANGES

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH
Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 26, Pg. 17, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.85 (none)   EXP
Water Solubility 6.69E+04 mg/L 25 EST
Vapor Pressure 0.352 mm Hg 25 EST
Henry's Law Constant 2.22E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.42E-12 cm3/molecule-sec 25 EST

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