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Substance Name: Imidazole
RN: 288-32-4
UNII: 7GBN705NH1
InChIKey: RAXXELZNTBOGNW-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Enzyme Inhibitors
  • Insecticide
  • Mutation Data
  • Reproductive Effect

Molecular Formula

  • C3-H4-N2

Molecular Weight

  • 68.0786
 
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Names and Synonyms

Name of Substance

  • Imidazole

Synonyms

  • 1,3-Diaza-2,4-cyclopentadiene
  • 1,3-Diazole
  • 5-23-04-00191 (Beilstein Handbook Reference)
  • AI3-24703
  • BRN 0103853
  • CCRIS 3345
  • EC 206-019-2
  • EINECS 206-019-2
  • Formamidine, N,N'-vinylene-
  • Glioksal
  • Glioksal [Polish]
  • Glyoxalin
  • Glyoxaline
  • IMD
  • Imidazol
  • Imidazole
  • Iminazole
  • Imutex
  • Methanimidamide, N,N'-1,2-ethenediyl-
  • Miazole
  • NSC 51860
  • NSC 60522
  • Pyrro(b)monazole
  • UNII-7GBN705NH1
  • USAF EK-4733

Systematic Names

  • 1H-Imidazole
  • Imidazole

Registry Numbers

CAS Registry Number

  • 288-32-4

FDA UNII

  • 7GBN705NH1

Other Registry Numbers

  • 116421-26-2
  • 146117-15-9

Related Registry Numbers

  • 1467-16-9 (mono-hydrochloride)
  • 5587-42-8 (hydrochloride salt)

System Generated Number

  • 0000288324

Structure Descriptors

InChI

1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)

InChIKey

RAXXELZNTBOGNW-UHFFFAOYSA-N

Smiles

c1cnc[nH]1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo subcutaneous 125mg/kg (125mg/kg)   Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 84, Pg. 155, 1918.
cat LDLo subcutaneous 125mg/kg (125mg/kg) BEHAVIORAL: REGIDITY

BEHAVIORAL: FOOD INTAKE (ANIMAL)
Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 84, Pg. 155, 1918.
dog LD50 subcutaneous 28mg/kg (28mg/kg)   Przeglad Epidemiologiczny. Vol. 67, Pg. 295, 1993.
guinea pig LD50 oral 760mg/kg (760mg/kg)   Przeglad Epidemiologiczny. Vol. 67, Pg. 295, 1993.
mammal (species unspecified) LD50 oral 1gm/kg (1000mg/kg)   Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 608, 1966.
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 intravenous 475mg/kg (475mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Arzneimittel-Forschung. Drug Research. Vol. 33, Pg. 716, 1983.
mouse LD50 oral 880mg/kg (880mg/kg)   German Offenlegungsschrift Patent Document. Vol. #3046325,
mouse LD50 subcutaneous 817mg/kg (817mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 119, Pg. 444, 1957.
rat LD50 oral 220mg/kg (220mg/kg)   Przeglad Epidemiologiczny. Vol. 67, Pg. 295, 1993.
rat LD50 subcutaneous 626mg/kg (626mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 119, Pg. 444, 1957.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 90.5 deg C   EXP
Boiling Point 257 deg C   EXP
pKa Dissociation Constant 6.953 (none) 25 EXP
log P (octanol-water) -0.08 (none)   EXP
Water Solubility 1.59E+05 mg/L 25 EST
Vapor Pressure 0.046 mm Hg 25 EST
Henry's Law Constant 3.76E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.59E-11 cm3/molecule-sec 24 EXP

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