3-(Chloromethyl)pentane (C6H13Cl)

3-(Chloromethyl)pentane (C6H13Cl; CAS 4737-41-1) is a practical retrosynthesis target. 3-(Chloromethyl)pentane presents a C6 framework, halogen substitution. Open AI route search in one click below.

Target: 3-(Chloromethyl)pentane
CAS: 4737-41-1
Formula: C6H13Cl
Approx. MW: 120.62
SMILES: CCC(CC)CCl
PubChem CID: 107585
Approx. carbons: C6

3-(Chloromethyl)pentane structure

Properties

IUPAC name: 3-(chloromethyl)pentane
Common names: 3-(Chloromethyl)pentane; 4737-41-1; Pentane, 3-(chloromethyl)-; DTXSID9063588; RefChem:859895; DTXCID4040559; 627-909-0; 3-chloromethyl-pentane; Pentane, 3-(chloromethyl); 3-chloromethylpentane
Molecular weight: 120.62
Exact mass: 120.07
InChIKey: PQHNRODYYLFLRE-UHFFFAOYSA-N

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3-(Chloromethyl)pentane 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 3-(Chloromethyl)pentane?

3-(Chloromethyl)pentane has molecular formula C6H13Cl. Molecular weight about 120.62 g·mol⁻¹.

What is the CAS number of 3-(Chloromethyl)pentane?

The CAS Registry Number for 3-(Chloromethyl)pentane is 4737-41-1.

Run AI retrosynthesis for 3-(Chloromethyl)pentane Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C6H13Cl.

Related targets

Similar compounds

1-Chlorohexane 2-Chlorohexane 3-Chlorohexane 1-Bromo-2-ethylbutane 1-Bromo-6-chlorohexane 1-Bromohexane

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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.