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Substance Name: Iodobenzene
RN: 591-50-4
UNII: 9HK5L7YBBR
InChIKey: SNHMUERNLJLMHN-UHFFFAOYSA-N

Molecular Formula

  • C6-H5-I

Molecular Weight

  • 204.005
 
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Names and Synonyms

Name of Substance

  • Iodobenzene

Synonyms

  • AI3-16898
  • Benzene iodide
  • EINECS 209-719-6
  • HSDB 7859
  • Iodinebenzol
  • Iodobenzene
  • NSC 9244
  • Phenyl iodide
  • UNII-9HK5L7YBBR

Systematic Names

  • Benzene, iodo-
  • Iodobenzene

Registry Numbers

CAS Registry Number

  • 591-50-4

FDA UNII

  • 9HK5L7YBBR

Other Registry Number

  • 172484-65-0

System Generated Number

  • 0000591504

Structure Descriptors

InChI

1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H

InChIKey

SNHMUERNLJLMHN-UHFFFAOYSA-N

Smiles

c1(ccccc1)I

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LC50 inhalation 17gm/m3 (17000mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.
mammal (species unspecified) LD50 oral 2gm/kg (2000mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.
rat LC50 inhalation 16320mg/m3 (16320mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 19(9), Pg. 36, 1975.
rat LD50 oral 1749mg/kg (1749mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 35(12), Pg. 45, 1991.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.13E+01 deg C   EXP
Boiling Point 188.4 deg C   EXP
log P (octanol-water) 3.25 (none)   EXP
Water Solubility 340 mg/L 30 EXP
Vapor Pressure 1.06 mm Hg 25 EXP
Henry's Law Constant 8.37E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.10E-12 cm3/molecule-sec 25 EXP

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