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Substance Name: 1H-Tetrazole, 5-chloro-1-phenyl-
RN: 14210-25-4
InChIKey: DHELIGKVOGTMGF-UHFFFAOYSA-N

Molecular Formula

  • C7-H5-Cl-N4

Molecular Weight

  • 180.598
 
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Names and Synonyms

Synonyms

  • AI3-61645
  • EINECS 238-065-4

Systematic Names

  • 1H-Tetrazole, 5-chloro-1-phenyl-
  • 5-Chloro-1-phenyl-1H-tetrazole

Registry Numbers

CAS Registry Number

  • 14210-25-4

System Generated Number

  • 0014210254

Structure Descriptors

InChI

1S/C7H5ClN4/c8-7-9-10-11-12(7)6-4-2-1-3-5-6/h1-5H

InChIKey

DHELIGKVOGTMGF-UHFFFAOYSA-N

Smiles

n1nnn(c2ccccc2)c1Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 122-124 deg C   EXP
log P (octanol-water) 1.48 (none)   EXP
Water Solubility 2980 mg/L 25 EST
Vapor Pressure 4.31E-04 mm Hg 25 EST
Henry's Law Constant 1.65E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.57E-12 cm3/molecule-sec 25 EST

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