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Substance Name: Pyrimidine, 4-phenyl-
RN: 3438-48-0
InChIKey: MKLQPIYLZMLAER-UHFFFAOYSA-N

Molecular Formula

  • C10-H8-N2

Molecular Weight

  • 156.187
 
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Names and Synonyms

Synonyms

  • 4-Phenylpyrimidine
  • 5-23-08-00009 (Beilstein Handbook Reference)
  • 6-Phenylpyrimidine
  • BRN 0112781
  • EINECS 222-345-8
  • NSC 84249

Systematic Names

  • 4-Phenylpyrimidine
  • Pyrimidine, 4-phenyl-

Registry Numbers

CAS Registry Number

  • 3438-48-0

System Generated Number

  • 0003438480

Structure Descriptors

InChI

1S/C10H8N2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-8H

InChIKey

MKLQPIYLZMLAER-UHFFFAOYSA-N

Smiles

c1(c2ccncn2)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12247,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 54-58 deg C   EXP
log P (octanol-water) 1.92 (none)   EXP
Water Solubility 1630 mg/L 25 EST
Vapor Pressure 1.20E-03 mm Hg 25 EST
Henry's Law Constant 2.24E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.79E-12 cm3/molecule-sec 25 EST

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