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Substance Name: Acetonitrile, (4-chloro-5-(4-methylphenyl)-3-oxo-2(3H)-furanylidene)-
RN: 139266-49-2
InChIKey: DCPKZYKCEYPEFB-UXBLZVDNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H8-Cl-N-O2

Molecular Weight

  • 245.6642
 
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Names and Synonyms

Synonyms

  • (4-Chloro-5-(4-methylphenyl)-3-oxo-2(3H)-furanylidene)acetonitrile
  • BRN 5435046

Systematic Name

  • Acetonitrile, (4-chloro-5-(4-methylphenyl)-3-oxo-2(3H)-furanylidene)-

Registry Numbers

CAS Registry Number

  • 139266-49-2

System Generated Number

  • 0139266492

Structure Descriptors

InChI

1S/C13H8ClNO2/c1-8-2-4-9(5-3-8)13-11(14)12(16)10(17-13)6-7-15/h2-6H,1H3/b10-6+

InChIKey

DCPKZYKCEYPEFB-UXBLZVDNSA-N

Smiles

Cc1ccc(cc1)C2=C(C(=O)/C(=C\C#N)/O2)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 600mg/kg (600mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 891, 1991.