3-(chloromethyl)heptane (C8H17Cl)

Looking for routes to 3-(chloromethyl)heptane? 3-(chloromethyl)heptane presents a C8 framework, halogen substitution. Use the planner with prefilled SMILES, or copy CCCCC(CC)CCl (CAS 123-04-6).

Target: 3-(chloromethyl)heptane
CAS: 123-04-6
Formula: C8H17Cl
Approx. MW: 148.67
SMILES: CCCCC(CC)CCl
PubChem CID: 31240
Approx. carbons: C8

3-(chloromethyl)heptane structure

Properties

IUPAC name: 3-(chloromethyl)heptane
Common names: 3-(CHLOROMETHYL)HEPTANE; 123-04-6; 2-Ethylhexyl chloride; Heptane, 3-(chloromethyl)-; 1-Chloro-2-ethylhexane; 3-Chloromethylheptane; EINECS 204-594-4; BRN 1697456; 1T84ZY4DN7; NSC-8883
Molecular weight: 148.67
Exact mass: 148.10
InChIKey: WLVCBAMXYMWGLJ-UHFFFAOYSA-N

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3-(chloromethyl)heptane 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 3-(chloromethyl)heptane?

3-(chloromethyl)heptane has molecular formula C8H17Cl. Molecular weight about 148.67 g·mol⁻¹.

What is the CAS number of 3-(chloromethyl)heptane?

The CAS Registry Number for 3-(chloromethyl)heptane is 123-04-6.

Run AI retrosynthesis for 3-(chloromethyl)heptane Target catalog AI tools overview

Open the planner with 3-(chloromethyl)heptane preloaded, then keep routes that match CAS 123-04-6.

Related targets

Similar compounds

1-Chlorooctane 1-Iodooctane 1-Octanesulfonyl chloride 2-Bromooctane 2-Ethylhexanoyl chloride 2-Propylvaleryl chloride

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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.