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Substance Name: 3,5-Dimethylpyrazole
RN: 67-51-6
UNII: H21N865K9J
InChIKey: SDXAWLJRERMRKF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H8-N2

Molecular Weight

  • 96.1322
 
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Names and Synonyms

Name of Substance

  • 3,5-Dimethylpyrazole

Synonyms

  • 3,5 DMP
  • 3,5-Dimethylpyrazole
  • 3,5-Dwumetylopirazolu
  • 3,5-Dwumetylopirazolu [Polish]
  • 5-23-05-00110 (Beilstein Handbook Reference)
  • BRN 0106325
  • EC 200-657-5
  • EINECS 200-657-5
  • NSC 8729
  • Pyrazole, 3,5-dimethyl-
  • TH 564
  • U 6245
  • UNII-H21N865K9J

Systematic Names

  • 1H-Pyrazole, 3,5-dimethyl-
  • 3,5-Dimethylpyrazole
  • Pyrazole, 3,5-dimethyl-

Registry Numbers

CAS Registry Number

  • 67-51-6

FDA UNII

  • H21N865K9J

System Generated Number

  • 0000067516

Structure Descriptors

InChI

1S/C5H8N2/c1-4-3-5(2)7-6-4/h3H,1-2H3,(H,6,7)

InChIKey

SDXAWLJRERMRKF-UHFFFAOYSA-N

Smiles

c1(cc(C)[nH]n1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 570mg/kg (570mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Dissertationes Pharmaceuticae et Pharmacologicae. Vol. 18, Pg. 19, 1966.
mouse LD50 oral 1060mg/kg (1060mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: ATAXIA
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 25(10), Pg. 56, 1981.
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 23, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 107.5 deg C   EXP
Boiling Point 218 deg C   EXP
pKa Dissociation Constant 4.38 (none) 25 EXP
log P (octanol-water) 1.01 (none)   EXP
Water Solubility 1.65E+04 mg/L 25 EST
Vapor Pressure 0.143 mm Hg 25 EST
Henry's Law Constant 4.50E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.00E-10 cm3/molecule-sec 25 EST

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