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Substance Name: 1-Propanol, 3-chloro-, acetate
RN: 628-09-1
InChIKey: KPOHQIPNNIMWRL-UHFFFAOYSA-N

Molecular Formula

  • C5-H9-Cl-O2

Molecular Weight

  • 136.577
 
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Names and Synonyms

Synonyms

  • 3-Chloropropanol acetate
  • 3-Chloropropyl acetate
  • 3-Chlorprop-1-ylacetat
  • 3-Chlorprop-1-ylacetat [German]
  • 4-02-00-00140 (Beilstein Handbook Reference)
  • BRN 1745110
  • gamma-Chloropropyl acetate

Systematic Name

  • 1-Propanol, 3-chloro-, acetate

Registry Numbers

CAS Registry Number

  • 628-09-1

System Generated Number

  • 0000628091

Structure Descriptors

InChI

1S/C5H9ClO2/c1-5(7)8-4-2-3-6/h2-4H2,1H3

InChIKey

KPOHQIPNNIMWRL-UHFFFAOYSA-N

Smiles

O(CCCCl)C(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 5290mg/kg (5290mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LIVER: OTHER CHANGES

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
Boiling Point 164 deg C   EXP
log P (octanol-water) 1.610 (none)   EST
Atmospheric OH Rate Constant 2.73E-12 cm3/molecule-sec 25 EST

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