Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 4-Methoxy-2,5,6-trichloroisophthalonitrile
RN: 57531-87-0
InChIKey: UXQSHXVXPDJKJU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H3-Cl3-N2-O

Molecular Weight

  • 261.495
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • 4-Methoxy-2,5,6-trichloroisophthalonitrile

Synonyms

  • 4-Methoxy-2,5,6-trichloro-1,3-benzenedicarbonitrile
  • 4-Methoxy-2,5,6-trichloroisophthalonitrile
  • BRN 2656786

Systematic Name

  • 1,3-Benzenedicarbonitrile, 4-methoxy-2,5,6-trichloro-

Registry Numbers

CAS Registry Number

  • 57531-87-0

System Generated Number

  • 0057531870

Structure Descriptors

InChI

1S/C9H3Cl3N2O/c1-15-9-5(3-14)6(10)4(2-13)7(11)8(9)12/h1H3

InChIKey

UXQSHXVXPDJKJU-UHFFFAOYSA-N

Smiles

c1(c(c(c(c(c1OC)Cl)Cl)C#N)Cl)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 178mg/kg (178mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 906, 1978.