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Substance Name: Hexanoic acid, 5-fluoro-, ethyl ester
RN: 63765-77-5
InChIKey: NPPLOQPYSBIGSI-UHFFFAOYSA-N

Molecular Formula

  • C8-H15-F-O2

Molecular Weight

  • 162.202
 
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Names and Synonyms

Synonym

  • Ethyl 5-fluorohexanoate

Systematic Name

  • Hexanoic acid, 5-fluoro-, ethyl ester

Registry Numbers

CAS Registry Number

  • 63765-77-5

System Generated Number

  • 0063765775

Structure Descriptors

InChI

1S/C8H15FO2/c1-3-11-8(10)6-4-5-7(2)9/h7H,3-6H2,1-2H3

InChIKey

NPPLOQPYSBIGSI-UHFFFAOYSA-N

Smiles

C(CCC[C@@H](C)F)(OCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 200ug/m3 (0.2mg/m3)   Nature. Vol. 160, Pg. 179, 1947.
mouse LD50 subcutaneous 4mg/kg (4mg/kg)   Nature. Vol. 160, Pg. 179, 1947.
rabbit LD50 intravenous 200ug/kg (0.2mg/kg)   Nature. Vol. 160, Pg. 179, 1947.
rat LD50 intramuscular 2300mg/kg (2300mg/kg)   Nature. Vol. 160, Pg. 179, 1947.