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Trichloroacetic Acid Hexyl Ester
[CAS# 37587-86-3]

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Identification
Name Trichloroacetic Acid Hexyl Ester
Synonyms 2,2,2-Trichloroacetic Acid Hexyl Ester; Hexyl 2,2,2-Trichloroethanoate; Nsc67976
Molecular Structure CAS#: 37587-86-3, Trichloroacetic Acid Hexyl Ester
Molecular Formula C8H13Cl3O2
Molecular Weight 247.55
CAS Registry Number 37587-86-3
SMILES C(C)CCCCOC(=O)C(Cl)(Cl)Cl
InChI 1S/C8H13Cl3O2/c1-2-3-4-5-6-13-7(12)8(9,10)11/h2-6H2,1H3
InChIKey UJGLOWVVUOBEJU-UHFFFAOYSA-N
Properties
Density 1.249g/cm3 (Cal.)
Boiling point 236.896°C at 760 mmHg (Cal.)
Flash point 81.253°C (Cal.)
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