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Substance Name: 1(2H)-Phthalazinone
RN: 119-39-1
UNII: 463ZJB0EI2
InChIKey: IJAPPYDYQCXOEF-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C8-H6-N2-O

Molecular Weight

  • 146.1484
 
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Names and Synonyms

Name of Substance

  • 1(2H)-Phthalazinone

Synonyms

  • 1(2H)-Phthalazinone
  • 1(2H)Phthalazinone
  • 1-Phthalazinol
  • CCRIS 4860
  • EINECS 204-319-8
  • HSDB 4310
  • NSC 10432
  • Phthalazin-1-one
  • Phthalazinone
  • Phthalazone
  • UNII-463ZJB0EI2

Systematic Name

  • 1(2H)-Phthalazinone

Registry Numbers

CAS Registry Number

  • 119-39-1

FDA UNII

  • 463ZJB0EI2

Other Registry Number

  • 5418-26-8

System Generated Number

  • 0000119391

Structure Descriptors

InChI

1S/C8H6N2O/c11-8-7-4-2-1-3-6(7)5-9-10-8/h1-5H,(H,10,11)

InChIKey

IJAPPYDYQCXOEF-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)cn[nH]c2=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00139,
rat LD50 oral 370mg/kg (370mg/kg)   Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. Vol. 6, Pg. 1, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 188 deg C   EXP
log P (octanol-water) 0.75 (none)   EXP
Water Solubility 1.80E+04 mg/L 25 EST
Vapor Pressure 2.57E-06 mm Hg 25 EST
Henry's Law Constant 2.17E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.17E-11 cm3/molecule-sec 25 EST

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