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Substance Name: Benzyl alcohol, p-iodo-
RN: 18282-51-4
InChIKey: CNQRHSZYVFYOIE-UHFFFAOYSA-N

Molecular Formula

  • C7-H7-I-O

Molecular Weight

  • 234.031
 
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Names and Synonyms

Synonyms

  • 4-06-00-02606 (Beilstein Handbook Reference)
  • 4-Iodobenzyl alcohol
  • Benzenemethanol, 4-iodo-
  • BRN 1931621
  • p-Iodobenzyl alcohol

Systematic Name

  • Benzyl alcohol, p-iodo-

Registry Numbers

CAS Registry Number

  • 18282-51-4

System Generated Number

  • 0018282514

Structure Descriptors

InChI

1S/C7H7IO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2

InChIKey

CNQRHSZYVFYOIE-UHFFFAOYSA-N

Smiles

c1(ccc(I)cc1)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 1gm/kg (1000mg/kg)   Journal of Pharmaceutical Sciences. Vol. 67, Pg. 1154, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.240 (none)   EST
Water Solubility 420 mg/L 20 EXP
Atmospheric OH Rate Constant 5.01E-12 cm3/molecule-sec 25 EST

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