Butanoic acid, 4,4,4-trichloro-3-oxo-, ethyl ester
CAS Registry Number®
3702-98-5
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CAS Name
Butanoic acid, 4,4,4-trichloro-3-oxo-, ethyl esterMolecular Formula
C6H7Cl3O3Molecular Mass
233.48Cite this Page
Butanoic acid, 4,4,4-trichloro-3-oxo-, ethyl ester. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=3702-98-5 (retrieved ) (CAS RN: 3702-98-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
91.5 °C @ Press: 2.5 TorrMelting Point (2)
126-127.5 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C6H7Cl3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3
InChIKey
InChIKey=XGIRWPYENXRJMZ-UHFFFAOYSA-N
SMILES
C(C(C(Cl)(Cl)Cl)=O)C(OCC)=O
Canonical SMILES
O=C(OCC)CC(=O)C(Cl)(Cl)Cl
Other Names for this Substance
- Butanoic acid, 4,4,4-trichloro-3-oxo-, ethyl ester
- Acetoacetic acid, 4,4,4-trichloro-, ethyl ester
- Ethyl 4,4,4-trichloroacetoacetate
- Ethyl 4,4,4-trichloro-3-oxobutanoate
