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Substance Name: Isobutyl iodide
RN: 513-38-2
UNII: 82IJ6B9708
InChIKey: BTUGGGLMQBJCBN-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C4-H9-I

Molecular Weight

  • 184.015
 
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Names and Synonyms

Name of Substance

  • Isobutyl iodide

Synonyms

  • 1-Iodo-2-methylpropane
  • 1-Jod-2-methylpropan
  • 1-Jod-2-methylpropan [Czech]
  • 2-Methylpropyl iodide
  • 4-01-00-00299 (Beilstein Handbook Reference)
  • BRN 1730927
  • EINECS 208-160-5
  • Isobutyl iodide
  • Isobutyljodid
  • Isobutyljodid [Czech]
  • NSC 8421
  • Primary isobutyl iodide
  • UNII-82IJ6B9708

Systematic Names

  • 1-Iodo-2-methylpropane
  • Propane, 1-iodo-2-methyl-

Registry Numbers

CAS Registry Number

  • 513-38-2

FDA UNII

  • 82IJ6B9708

System Generated Number

  • 0000513382

Structure Descriptors

InChI

1S/C4H9I/c1-4(2)3-5/h4H,3H2,1-2H3

InChIKey

BTUGGGLMQBJCBN-UHFFFAOYSA-N

Smiles

C(CI)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 594mg/kg (594mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 756, 1969.
rat LC50 inhalation 6700mg/m3/4H (6700mg/m3)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 756, 1969.
rat LD50 intraperitoneal 1241mg/kg (1241mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 756, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -9.30E+01 deg C   EXP
Boiling Point 121.1 deg C   EXP
log P (octanol-water) 2.990 (none)   EST
Water Solubility 147 mg/L 25 EST
Vapor Pressure 15.7 mm Hg 25 EXP
Henry's Law Constant 0.013 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.84E-12 cm3/molecule-sec 25 EST

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