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Substance Name: 1H-Benzotriazole, 1-methyl-
RN: 13351-73-0
InChIKey: HXQHRUJXQJEGER-UHFFFAOYSA-N

Molecular Formula

  • C7-H7-N3

Molecular Weight

  • 133.153
 
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Names and Synonyms

Synonyms

  • 1-Methyl-1,2,3-benzotriazole
  • 1-Methylbenzotriazole
  • 1H-Benzotriazole, 1-methyl-
  • 4-26-00-00095 (Beilstein Handbook Reference)
  • BRN 0118900
  • EINECS 236-401-4
  • NSC 11743

Systematic Names

  • 1-Methyl-1H-benzotriazole
  • 1H-Benzotriazole, 1-methyl-

Registry Numbers

CAS Registry Number

  • 13351-73-0

System Generated Number

  • 0013351730

Structure Descriptors

InChI

1S/C7H7N3/c1-10-7-5-3-2-4-6(7)8-9-10/h2-5H,1H3

InChIKey

HXQHRUJXQJEGER-UHFFFAOYSA-N

Smiles

c12c(cccc2)nnn1C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 375mg/kg (375mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 486, 1952.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 64.5 deg C   EXP
Boiling Point 270.5 deg C   EXP
log P (octanol-water) 1.13 (none)   EXP
Water Solubility 9680 mg/L 25 EST
Vapor Pressure 0.010 mm Hg 25 EST
Henry's Law Constant 3.13E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.14E-12 cm3/molecule-sec 25 EST

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