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Substance Name: Terephthalaldehydonitrile
RN: 105-07-7
UNII: DWH62Y9TCA
InChIKey: WZWIQYMTQZCSKI-UHFFFAOYSA-N

Molecular Formula

  • C8-H5-N-O

Molecular Weight

  • 131.133
 
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Names and Synonyms

Name of Substance

  • Terephthalaldehydonitrile

Synonyms

  • 4-Cyanobenzaldehyde
  • 4-Formylbenzonitrile
  • Benzaldehyde, p-cyano-
  • Benzonitrile, p-formyl-
  • EINECS 203-267-3
  • NSC 5091
  • p-Cyanobenzaldehyde
  • p-Cyanobenzenecarboxaldehyde
  • p-Formylbenzonitrile
  • UNII-DWH62Y9TCA
  • USAF KF-1

Systematic Names

  • 4-Formylbenzonitrile
  • Benzaldehyde, p-cyano-
  • Benzonitrile, 4-formyl-
  • Terephthalaldehydonitrile (8CI)

Registry Numbers

CAS Registry Number

  • 105-07-7

FDA UNII

  • DWH62Y9TCA

System Generated Number

  • 0000105077

Structure Descriptors

InChI

1S/C8H5NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6H

InChIKey

WZWIQYMTQZCSKI-UHFFFAOYSA-N

Smiles

C(c1ccc(cc1)C=O)#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   National Technical Information Service. Vol. AD277-689,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 100.5 deg C   EXP
log P (octanol-water) 1.260 (none)   EST
Atmospheric OH Rate Constant 1.71E-11 cm3/molecule-sec 25 EST

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