Adipoyl chloride (C6H8Cl2O2)

Adipoyl chloride (C6H8Cl2O2; CAS 111-50-2) is a practical retrosynthesis target. Adipoyl chloride presents a C6 framework, halogen substitution. Open AI route search in one click below.

Target: Adipoyl chloride
CAS: 111-50-2
Formula: C6H8Cl2O2
Approx. MW: 183.03
SMILES: O=C(Cl)CCCCC(=O)Cl
PubChem CID: 61034
Approx. carbons: C6

Adipoyl chloride structure

Properties

IUPAC name: hexanedioyl dichloride
Common names: Adipoyl chloride; 111-50-2; HEXANEDIOYL DICHLORIDE; Adipoyl dichloride; X7CW7C2XXR; DTXSID5059402; RefChem:109799; DTXCID8033198; 203-876-4; Adipyl chloride
Molecular weight: 183.03
Exact mass: 181.99
InChIKey: PWAXUOGZOSVGBO-UHFFFAOYSA-N

View on PubChem

Adipoyl chloride 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Adipoyl chloride?

Adipoyl chloride has molecular formula C6H8Cl2O2. Molecular weight about 183.03 g·mol⁻¹.

What is the CAS number of Adipoyl chloride?

The CAS Registry Number for Adipoyl chloride is 111-50-2.

Run AI retrosynthesis for Adipoyl chloride Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C6H8Cl2O2.

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1-Bromo-2-ethylbutane 1-Bromo-6-chlorohexane 1-Bromohexane 1-Chlorohexane 1-Chloropinacolone 1-Iodohexane

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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.