Isopropyl chloroacetate (C5H9ClO2)

Isopropyl Chloroacetate presents a C5 framework, halogen substitution (formula C5H9ClO2, CAS 105-48-6). ChemicalTool Reaction can propose ranked disconnections for Isopropyl Chloroacetate from the SMILES CC(C)OC(=O)CCl.

Target: Isopropyl chloroacetate
CAS: 105-48-6
Formula: C5H9ClO2
Approx. MW: 136.57
SMILES: CC(C)OC(=O)CCl
PubChem CID: 7759
Approx. carbons: C5

Isopropyl chloroacetate structure

Properties

IUPAC name: propan-2-yl 2-chloroacetate
Common names: ISOPROPYL CHLOROACETATE; 105-48-6; Chloroacetic acid isopropyl ester; Acetic acid, chloro-, 1-methylethyl ester; isopropyl 2-chloroacetate; Acetic acid, 2-chloro-, 1-methylethyl ester; Acetic acid, chloro-, isopropyl ester; CCRIS 7748; VNJ65NL2TF; EINECS 203-301-7
Molecular weight: 136.58
Exact mass: 136.03
InChIKey: VODRWDBLLGYRJT-UHFFFAOYSA-N

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Isopropyl chloroacetate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Isopropyl chloroacetate?

Isopropyl chloroacetate has molecular formula C5H9ClO2. Molecular weight about 136.57 g·mol⁻¹.

What is the CAS number of Isopropyl chloroacetate?

The CAS Registry Number for Isopropyl chloroacetate is 105-48-6.

Run AI retrosynthesis for Isopropyl chloroacetate Target catalog AI tools overview

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Related targets

Similar compounds

Butyl chloroformate Ethyl 3-chloropropionate Isobutyl chloroformate (RS)-2-Methylbutyryl chloride 1-Bromo-3-Methylbutane 1-Bromo-5-chloropentane

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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.