2-Bromobutane (C4H9Br)

Looking for routes to 2-Bromobutane? 2-Bromobutane presents a C4 framework, halogen substitution. Use the planner with prefilled SMILES, or copy CCC(C)Br (CAS 78-76-2).

Target: 2-Bromobutane
CAS: 78-76-2
Formula: C4H9Br
Approx. MW: 137.02
SMILES: CCC(C)Br
PubChem CID: 6554
Approx. carbons: C4

2-Bromobutane structure

Properties

IUPAC name: 2-bromobutane
Molecular weight: 137.02
Exact mass: 135.99
InChIKey: UPSXAPQYNGXVBF-UHFFFAOYSA-N
Melting point: -169.4 °F (USCG, 1999)
Boiling point: 196.5 °F at 760 mmHg (USCG, 1999)
Density: 1.258 at 68 °F (USCG, 1999) - Denser than water; will sink

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2-Bromobutane 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 2-Bromobutane?

2-Bromobutane has molecular formula C4H9Br. Molecular weight about 137.02 g·mol⁻¹.

What is the CAS number of 2-Bromobutane?

The CAS Registry Number for 2-Bromobutane is 78-76-2.

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

Start from this SMILES and explore AI retrosynthesis routes for C4H9Br.

Related targets

Similar compounds

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

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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.