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Substance Name: 2,6-Difluorobenzamide
RN: 18063-03-1
UNII: SJ2RN214MK
InChIKey: AVRQBXVUUXHRMY-UHFFFAOYSA-N

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C7-H5-F2-N-O

Molecular Weight

  • 157.118
 
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Names and Synonyms

Name of Substance

  • 2,6-Difluorobenzamide

Synonyms

  • 2,6-Difluorobenzamide
  • EC 241-972-8
  • EINECS 241-972-8
  • UNII-SJ2RN214MK

Systematic Names

  • 2,6-Difluorobenzamide
  • Benzamide, 2,6-difluoro-

Registry Numbers

CAS Registry Number

  • 18063-03-1

FDA UNII

  • SJ2RN214MK

System Generated Number

  • 0018063031

Structure Descriptors

InChI

1S/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)

InChIKey

AVRQBXVUUXHRMY-UHFFFAOYSA-N

Smiles

NC(=O)c1c(F)cccc1F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LC50 inhalation > 2100mg/m3/4H (2100mg/m3)   National Technical Information Service. Vol. OTS0543293,
rat LD50 oral 3299mg/kg (3299mg/kg) MUSCULOSKELETAL: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
National Technical Information Service. Vol. OTS0543293,
rat LD50 skin > 5gm/kg (5000mg/kg)   National Technical Information Service. Vol. OTS0543293,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 145-148 deg C   EXP
log P (octanol-water) 0.25 (none)   EXP
Water Solubility 4.31E+04 mg/L 25 EST
Vapor Pressure 1.26E-03 mm Hg 25 EST
Henry's Law Constant 3.02E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.79E-12 cm3/molecule-sec 25 EST

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