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Substance Name: o-Fluorotoluene
RN: 95-52-3
UNII: L55XKB3K7H
InChIKey: MMZYCBHLNZVROM-UHFFFAOYSA-N

Molecular Formula

  • C7-H7-F

Molecular Weight

  • 110.13
 
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Names and Synonyms

Name of Substance

  • o-Fluorotoluene

Synonyms

  • 1-Fluoro-2-methylbenzene
  • 1-Methyl-2-fluorobenzene
  • 2-Fluorotoluene
  • 4-05-00-00799 (Beilstein Handbook Reference)
  • BRN 1853362
  • EC 202-428-5
  • EINECS 202-428-5
  • NSC 8859
  • o-Fluorotoluene
  • UNII-L55XKB3K7H

Systematic Names

  • 2-Fluorotoluene
  • Benzene, 1-fluoro-2-methyl-
  • Toluene, o-fluoro-

Superlist Names

  • o-Fluorotoluene [UN2388] [Flammable liquid]
  • UN2388

Registry Numbers

CAS Registry Number

  • 95-52-3

FDA UNII

  • L55XKB3K7H

System Generated Number

  • 0000095523

Structure Descriptors

InChI

1S/C7H7F/c1-6-4-2-3-5-7(6)8/h2-5H,1H3

InChIKey

MMZYCBHLNZVROM-UHFFFAOYSA-N

Smiles

c1(c(cccc1)F)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 100mg/kg (100mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.20E+01 deg C   EXP
Boiling Point 115 deg C   EXP
log P (octanol-water) 2.740 (none)   EST
Water Solubility 496 mg/L 25 EST
Vapor Pressure 24.4 mm Hg 25 EXP
Henry's Law Constant 6.94E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.13E-12 cm3/molecule-sec 25 EST

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