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Substance Name: alpha,alpha-Dichloro-alpha-fluorotoluene
RN: 498-67-9
InChIKey: OMEURKZGLJYCGS-UHFFFAOYSA-N

Molecular Formula

  • C7-H5-Cl2-F

Molecular Weight

  • 179.02
 
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Names and Synonyms

Name of Substance

  • alpha,alpha-Dichloro-alpha-fluorotoluene

Synonyms

  • (Dichlorofluoromethyl)benzene
  • 4-05-00-00818 (Beilstein Handbook Reference)
  • alpha,alpha-Dichloro-alpha-fluorotoluene
  • Benzene, (dichlorofluoromethyl)-
  • BRN 1932694
  • EINECS 207-867-6

Systematic Names

  • (Dichlorofluoromethyl)benzene
  • Benzene, (dichlorofluoromethyl)-
  • Toluene, alpha,alpha-dichloro-alpha-fluoro-

Registry Numbers

CAS Registry Number

  • 498-67-9

System Generated Number

  • 0000498679

Structure Descriptors

InChI

1S/C7H5Cl2F/c8-7(9,10)6-4-2-1-3-5-6/h1-5H

InChIKey

OMEURKZGLJYCGS-UHFFFAOYSA-N

Smiles

FC(c1ccccc1)(Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LC50 inhalation 3200mg/m3 (3200mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(3), Pg. 6, 1986.
mouse LC50 inhalation 3100mg/m3 (3100mg/m3) BLOOD: HEMORRHAGE

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(4), Pg. 46, 1987.
mouse LD50 oral 1875mg/kg (1875mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

BLOOD: HEMORRHAGE

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(4), Pg. 46, 1987.
rat LC50 inhalation 2gm/m3 (2000mg/m3) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

BLOOD: HEMORRHAGE

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(4), Pg. 46, 1987.
rat LD50 oral 450mg/kg (450mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

BLOOD: HEMORRHAGE
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(4), Pg. 46, 1987.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.68E+01 deg C   EXP
Boiling Point 179 deg C   EXP
log P (octanol-water) 3.580 (none)   EST
Atmospheric OH Rate Constant 4.30E-12 cm3/molecule-sec 25 EST

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