1-Bromohexane (C6H13Br)

1-Bromohexane (C6H13Br; CAS 111-25-1) is a practical retrosynthesis target. 1-Bromohexane presents a C6 framework, halogen substitution. Open AI route search in one click below.

Target: 1-Bromohexane
CAS: 111-25-1
Formula: C6H13Br
Approx. MW: 165.07
SMILES: CCCCCCBr
PubChem CID: 8101
Approx. carbons: C6

1-Bromohexane structure

Properties

Molecular weight: 165.07

View on PubChem

1-Bromohexane 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 1-Bromohexane?

1-Bromohexane has molecular formula C6H13Br. Molecular weight about 165.07 g·mol⁻¹.

What is the CAS number of 1-Bromohexane?

The CAS Registry Number for 1-Bromohexane is 111-25-1.

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

Start from this SMILES and explore AI retrosynthesis routes for C6H13Br.

Related targets

Similar compounds

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

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.