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Substance Name: Isophthalaldehyde
RN: 626-19-7
UNII: LU162B2N9X
InChIKey: IZALUMVGBVKPJD-UHFFFAOYSA-N

Molecular Formula

  • C8-H6-O2

Molecular Weight

  • 134.133
 
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Names and Synonyms

Name of Substance

  • Isophthalaldehyde

Synonyms

  • 4-07-00-02139 (Beilstein Handbook Reference)
  • BRN 1561038
  • EINECS 210-935-8
  • Isophtaldehydes
  • Isophtaldehydes [French]
  • Isophthalaldehyde
  • NSC 5092
  • UNII-LU162B2N9X

Systematic Names

  • 1,3-Benzenedicarboxaldehyde (9CI)
  • Isophthalaldehyde

Registry Numbers

CAS Registry Number

  • 626-19-7

FDA UNII

  • LU162B2N9X

System Generated Number

  • 0000626197

Structure Descriptors

InChI

1S/C8H6O2/c9-5-7-2-1-3-8(4-7)6-10/h1-6H

InChIKey

IZALUMVGBVKPJD-UHFFFAOYSA-N

Smiles

c1c(cccc1C=O)C=O

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#07922,
mouse LDLo unreported 696mg/kg (696mg/kg)   Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 246, Pg. 851, 1958.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 89.5 deg C   EXP
Boiling Point 246 deg C   EXP
log P (octanol-water) 1.430 (none)   EST
Atmospheric OH Rate Constant 3.43E-11 cm3/molecule-sec 25 EST

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