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Substance Name: n-Butyl iodide
RN: 542-69-8
UNII: 607A6CC46R
InChIKey: KMGBZBJJOKUPIA-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C4-H9-I

Molecular Weight

  • 184.015
 
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Names and Synonyms

Name of Substance

  • 1-Iodobutane
  • n-Butyl iodide

Synonyms

  • 1-Iodobutane
  • 1-Jodbutan
  • 1-Jodbutan [Czech]
  • AI3-52403
  • Butyl iodide
  • EINECS 208-824-4
  • n-Butyl iodide
  • NSC 8420
  • UNII-607A6CC46R

Systematic Names

  • 1-Iodobutane
  • Butane, 1-iodo-

Registry Numbers

CAS Registry Number

  • 542-69-8

FDA UNII

  • 607A6CC46R

System Generated Number

  • 0000542698

Structure Descriptors

InChI

1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3

InChIKey

KMGBZBJJOKUPIA-UHFFFAOYSA-N

Smiles

C(CC)CI

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 101mg/kg (101mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 30, 1982.
rat LC50 inhalation 6100mg/m3/4H (6100mg/m3)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 756, 1969.
rat LD50 intraperitoneal 692mg/kg (692mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 30, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.03E+02 deg C   EXP
Boiling Point 130.6 deg C   EXP
log P (octanol-water) 3.060 (none)   EST
Water Solubility 202 mg/L 20 EXP
Vapor Pressure 13.9 mm Hg 25 EXP
Henry's Law Constant 0.017 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.45E-12 cm3/molecule-sec 25 EST

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