1-Chlorooctane (C8H17Cl)

1-Chlorooctane (C8H17Cl; CAS 111-85-3) is a practical retrosynthesis target. 1-Chlorooctane presents a C8 framework, halogen substitution. Open AI route search in one click below.

Target: 1-Chlorooctane
CAS: 111-85-3
Formula: C8H17Cl
Approx. MW: 148.67
SMILES: CCCCCCCCCl
PubChem CID: 8142
Approx. carbons: C8

1-Chlorooctane structure

Properties

Molecular weight: 148.67

View on PubChem

1-Chlorooctane 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 1-Chlorooctane?

1-Chlorooctane has molecular formula C8H17Cl. Molecular weight about 148.67 g·mol⁻¹.

What is the CAS number of 1-Chlorooctane?

The CAS Registry Number for 1-Chlorooctane is 111-85-3.

Run AI retrosynthesis for 1-Chlorooctane Target catalog AI tools overview

One click loads 1-Chlorooctane into ChemicalTool Reaction for route exploration.

Related targets

Similar compounds

3-(chloromethyl)heptane 1-Iodooctane 1-Octanesulfonyl chloride 2-Bromooctane 2-Ethylhexanoyl chloride 2-Propylvaleryl chloride

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.