Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-Iodotoluene
RN: 625-95-6
UNII: 2H574IR35G
InChIKey: VLCPISYURGTGLP-UHFFFAOYSA-N

Molecular Formula

  • C7-H7-I

Molecular Weight

  • 218.032
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 3-Iodotoluene

Synonyms

  • 1-Iodo-3-methylbenzene
  • 3-Iodotoluene
  • 3-Methylphenyl iodide
  • 4-05-00-00839 (Beilstein Handbook Reference)
  • BRN 1903634
  • EINECS 210-918-5
  • m-Iodotoluene
  • m-Methyliodobenzene
  • m-Tolyl iodide
  • NSC 3775
  • UNII-2H574IR35G

Systematic Names

  • 3-Iodotoluene
  • Benzene, 1-iodo-3-methyl-
  • Toluene, m-iodo- (7CI,8CI)

Registry Numbers

CAS Registry Number

  • 625-95-6

FDA UNII

  • 2H574IR35G

System Generated Number

  • 0000625956

Structure Descriptors

InChI

1S/C7H7I/c1-6-3-2-4-7(8)5-6/h2-5H,1H3

InChIKey

VLCPISYURGTGLP-UHFFFAOYSA-N

Smiles

c1c(cccc1I)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2296mg/kg (2296mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 36(9-10), Pg. 44, 1992.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.72E+01 deg C   EXP
Boiling Point 213 deg C   EXP
log P (octanol-water) 3.710 (none)   EST
Atmospheric OH Rate Constant 3.49E-12 cm3/molecule-sec 25 EST

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