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Substance Name: Hexanoic acid, 6-chloro-6-oxo-, ethyl ester
RN: 1071-71-2
InChIKey: VEOZBFFLKPBVIY-UHFFFAOYSA-N

Molecular Formula

  • C8-H13-Cl-O3

Molecular Weight

  • 192.641
 
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Names and Synonyms

Synonyms

  • 4-02-00-01971 (Beilstein Handbook Reference)
  • 6-Chloro-6-oxo-hexanoic acid, ethyl ester
  • BRN 1100317
  • EINECS 213-993-2

Systematic Names

  • Ethyl 6-chloro-6-oxohexanoate
  • Hexanoic acid, 6-chloro-6-oxo-, ethyl ester

Registry Numbers

CAS Registry Number

  • 1071-71-2

System Generated Number

  • 0001071712

Structure Descriptors

InChI

1S/C8H13ClO3/c1-2-12-8(11)6-4-3-5-7(9)10/h2-6H2,1H3

InChIKey

VEOZBFFLKPBVIY-UHFFFAOYSA-N

Smiles

C(C(OCC)=O)CCCC(=O)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 1009mg/kg (1009mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: EXCITEMENT
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 21(10), Pg. 39, 1977.