Ethyl trichloroacetate (C4H5Cl3O2)

Ethyl Trichloroacetate presents a C4 framework, halogen substitution (formula C4H5Cl3O2, CAS 515-84-4). ChemicalTool Reaction can propose ranked disconnections for Ethyl Trichloroacetate from the SMILES CCOC(=O)C(Cl)(Cl)Cl.

Target: Ethyl trichloroacetate
CAS: 515-84-4
Formula: C4H5Cl3O2
Approx. MW: 191.43
SMILES: CCOC(=O)C(Cl)(Cl)Cl
PubChem CID: 10588
Approx. carbons: C4

Ethyl trichloroacetate structure

Properties

IUPAC name: ethyl 2,2,2-trichloroacetate
Common names: ETHYL TRICHLOROACETATE; 515-84-4; BR8FKN5Z55; NSC-8829; DTXSID9060158; Acetic acid, 2,2,2-trichloro-, ethyl ester; RefChem:139064; DTXCID9041029; 208-212-7; ethyl 2,2,2-trichloroacetate
Molecular weight: 191.44
Exact mass: 189.94
InChIKey: SJMLNDPIJZBEKY-UHFFFAOYSA-N

View on PubChem

Ethyl trichloroacetate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Ethyl trichloroacetate?

Ethyl trichloroacetate has molecular formula C4H5Cl3O2. Molecular weight about 191.43 g·mol⁻¹.

What is the CAS number of Ethyl trichloroacetate?

The CAS Registry Number for Ethyl trichloroacetate is 515-84-4.

Run AI retrosynthesis for Ethyl trichloroacetate Target catalog AI tools overview

One click loads Ethyl trichloroacetate into ChemicalTool Reaction for route exploration.

Related targets

Similar compounds

(Chloromethyl)cyclopropane (Iodomethyl)trimethylsilane 1-(Chloromethoxy)-2-methoxyethane 1-Bromo-2-methylpropane 1-Bromo-3-chloro-2-methylpropane 1-Bromobutane

Browse the full target catalog

References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.