3-Chloropivaloyl chloride (C5H8Cl2O)

3-Chloropivaloyl chloride presents a C5 framework, halogen substitution (formula C5H8Cl2O, CAS 4300-97-4). ChemicalTool Reaction can propose ranked disconnections for 3-Chloropivaloyl chloride from the SMILES CC(C)(CCl)C(=O)Cl.

Target: 3-Chloropivaloyl chloride
CAS: 4300-97-4
Formula: C5H8Cl2O
Approx. MW: 155.02
SMILES: CC(C)(CCl)C(=O)Cl
PubChem CID: 61345
Approx. carbons: C5

3-Chloropivaloyl chloride structure

Properties

Molecular weight: 155.02

View on PubChem

3-Chloropivaloyl chloride 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 3-Chloropivaloyl chloride?

3-Chloropivaloyl chloride has molecular formula C5H8Cl2O. Molecular weight about 155.02 g·mol⁻¹.

What is the CAS number of 3-Chloropivaloyl chloride?

The CAS Registry Number for 3-Chloropivaloyl chloride is 4300-97-4.

Run AI retrosynthesis for 3-Chloropivaloyl chloride Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C5H8Cl2O.

Related targets

Similar compounds

3,3-bis(chloromethyl)oxetane (RS)-2-Methylbutyryl chloride 1-Bromo-3-Methylbutane 1-Bromo-5-chloropentane 1-Bromopentane 1-Chloro-3-Methylbutane

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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.