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Substance Name: 2,3,4,5,6-Pentafluoroaniline
RN: 771-60-8
UNII: MS06IL3Y2Q
InChIKey: NOXLGCOSAFGMDV-UHFFFAOYSA-N

Molecular Formula

  • C6-H2-F5-N

Molecular Weight

  • 183.079
 
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Names and Synonyms

Name of Substance

  • 2,3,4,5,6-Pentafluoroaniline

Synonyms

  • 2,3,4,5,6-Pentafluoroaniline
  • 2,3,4,5,6-Pentafluorobenzenamine
  • Aminopentafluorobenzene
  • EINECS 212-234-2
  • NSC 88320
  • Pentafluoroaniline
  • Pentafluorophenylamine
  • UNII-MS06IL3Y2Q

Systematic Names

  • 2,3,4,5,6-Pentafluoroaniline
  • Aniline, 2,3,4,5,6-pentafluoro-
  • Benzenamine, 2,3,4,5,6-pentafluoro-

Registry Numbers

CAS Registry Number

  • 771-60-8

FDA UNII

  • MS06IL3Y2Q

System Generated Number

  • 0000771608

Structure Descriptors

InChI

1S/C6H2F5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2

InChIKey

NOXLGCOSAFGMDV-UHFFFAOYSA-N

Smiles

c1(c(c(c(F)c(c1F)F)F)F)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 384mg/kg (384mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Izvestiya Sibirskogo Otdeleniya Akademii Nauk SSSR, Seriya Biologomeditsinskikh Nauk. Vol. 3, Pg. 91, 1965.
rat LD50 intraperitoneal 390mg/kg (390mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Izvestiya Sibirskogo Otdeleniya Akademii Nauk SSSR, Seriya Biologomeditsinskikh Nauk. Vol. 3, Pg. 91, 1965.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 35-36 deg C   EXP
Boiling Point 153 deg C   EXP
pKa Dissociation Constant -0.28 (none) 25 EXP
log P (octanol-water) 2.080 (none)   EST
Water Solubility 894 mg/L 25 EST
Vapor Pressure 2.560 mm Hg 25 EST
Henry's Law Constant 4.12E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.50E-12 cm3/molecule-sec 25 EST

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