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Substance Name: 3-Methylbenzotriazin-4-one
RN: 22305-44-8
InChIKey: AULPOPGFJIOHMZ-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-N3-O

Molecular Weight

  • 161.163
 
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Names and Synonyms

Name of Substance

  • 3-Methylbenzotriazin-4-one

Synonyms

  • 3-Methylbenzotriazinone
  • NSC 125609

Systematic Name

  • 1,2,3-Benzotriazin-4(3H)-one, 3-methyl-

Registry Numbers

CAS Registry Number

  • 22305-44-8

System Generated Number

  • 0022305448

Structure Descriptors

InChI

1S/C8H7N3O/c1-11-8(12)6-4-2-3-5-7(6)9-10-11/h2-5H,1H3

InChIKey

AULPOPGFJIOHMZ-UHFFFAOYSA-N

Smiles

n1n(c(=O)c2c(n1)cccc2)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.84 (none)   EXP
Water Solubility 1.30E+04 mg/L 25 EST
Vapor Pressure 6.24E-05 mm Hg 25 EST
Henry's Law Constant 7.12E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.59E-11 cm3/molecule-sec 25 EST

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