Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 4H-1-Benzopyran-2-carboxylic acid, 3-chloro-4-oxo-, ethyl ester
RN: 18332-98-4
InChIKey: DTKNMCXKRAUTNS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H9-Cl-O4

Molecular Weight

  • 252.652
 
* 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

Synonyms

  • 5-18-08-00316 (Beilstein Handbook Reference)
  • BRN 1431054
  • Ethyl 3-chloro-4-oxo-4H-1-benzopyran-2-carboxylate

Systematic Name

  • 4H-1-Benzopyran-2-carboxylic acid, 3-chloro-4-oxo-, ethyl ester

Registry Numbers

CAS Registry Number

  • 18332-98-4

System Generated Number

  • 0018332984

Structure Descriptors

InChI

1S/C12H9ClO4/c1-2-16-12(15)11-9(13)10(14)7-5-3-4-6-8(7)17-11/h3-6H,2H2,1H3

InChIKey

DTKNMCXKRAUTNS-UHFFFAOYSA-N

Smiles

c1(c(c(c2c(o1)cccc2)=O)Cl)C(=O)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 865, 1972.