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Substance Name: sec-Octyl iodide
RN: 557-36-8
UNII: 89710GTW4Y
InChIKey: XFLOGTUFKZCFTK-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C8-H17-I

Molecular Weight

  • 240.122
 
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Names and Synonyms

Name of Substance

  • sec-Octyl iodide

Synonyms

  • 2-Iodooctane
  • 2-Octyl iodide
  • EINECS 209-172-3
  • sec-Octyl iodide
  • UNII-89710GTW4Y

Systematic Names

  • 2-Iodooctane
  • Octane, 2-iodo-

Registry Numbers

CAS Registry Number

  • 557-36-8

FDA UNII

  • 89710GTW4Y

Other Registry Numbers

  • 36049-78-2
  • 75461-08-4

System Generated Number

  • 0000557368

Structure Descriptors

InChI

1S/C8H17I/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3

InChIKey

XFLOGTUFKZCFTK-UHFFFAOYSA-N

Smiles

C(C[C@@H](C)I)CCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1360mg/kg (1360mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: COMA
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(2), Pg. 92, 1984.
rat LD50 oral 8200mg/kg (8200mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: COMA
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(2), Pg. 92, 1984.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 210 deg C   EXP
log P (octanol-water) 4.960 (none)   EST
Water Solubility 1.570 mg/L 25 EST
Vapor Pressure 1.37 mm Hg 25 EXP
Henry's Law Constant 0.040 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.50E-12 cm3/molecule-sec 25 EST

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