2-Chlorobutane (C4H9Cl)

2-Chlorobutane (C4H9Cl; CAS 78-86-4) is a practical retrosynthesis target. 2-Chlorobutane presents a C4 framework, halogen substitution. Open AI route search in one click below.

Target: 2-Chlorobutane
CAS: 78-86-4
Formula: C4H9Cl
Approx. MW: 92.57
SMILES: CCC(C)Cl
PubChem CID: 6563
Approx. carbons: C4

2-Chlorobutane structure

Properties

IUPAC name: 2-chlorobutane
Molecular weight: 92.57
Exact mass: 92.04
InChIKey: BSPCSKHALVHRSR-UHFFFAOYSA-N
Boiling point: 68.5 °C @760 [mm Hg]
Density: 0.873 @25 °C

View on PubChem

2-Chlorobutane 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 2-Chlorobutane?

2-Chlorobutane has molecular formula C4H9Cl. Molecular weight about 92.57 g·mol⁻¹.

What is the CAS number of 2-Chlorobutane?

The CAS Registry Number for 2-Chlorobutane is 78-86-4.

Run AI retrosynthesis for 2-Chlorobutane Target catalog AI tools overview

One click loads 2-Chlorobutane into ChemicalTool Reaction for route exploration.

Related targets

Similar compounds

1-Chloro-2-methylpropane 2-Chloro-2-methylpropane (Chloromethyl)cyclopropane (Iodomethyl)trimethylsilane 1-(Chloromethoxy)-2-methoxyethane 1-Bromo-2-methylpropane

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.