(1-Bromoethyl)benzene (C8H9Br)

(1-Bromoethyl)benzene presents a C8 framework, aromatic rings, halogen substitution (formula C8H9Br, CAS 585-71-7). ChemicalTool Reaction can propose ranked disconnections for (1-Bromoethyl)benzene from the SMILES CC(Br)c1ccccc1.

Target: (1-Bromoethyl)benzene
CAS: 585-71-7
Formula: C8H9Br
Approx. MW: 185.06
SMILES: CC(Br)c1ccccc1
PubChem CID: 11454
Approx. carbons: C8

(1-Bromoethyl)benzene structure

Properties

IUPAC name: 1-bromoethylbenzene
Molecular weight: 185.06
Exact mass: 183.99
InChIKey: CRRUGYDDEMGVDY-UHFFFAOYSA-N
Boiling point: 94 °C at 16 mm Hg
Density: Density = 1.356

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(1-Bromoethyl)benzene 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of (1-Bromoethyl)benzene?

(1-Bromoethyl)benzene has molecular formula C8H9Br. Molecular weight about 185.06 g·mol⁻¹.

What is the CAS number of (1-Bromoethyl)benzene?

The CAS Registry Number for (1-Bromoethyl)benzene is 585-71-7.

Run AI retrosynthesis for (1-Bromoethyl)benzene Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C8H9Br.

Related targets

Similar compounds

2-Bromo-m-xylene 2-Bromo-p-xylene 3-Methylbenzyl bromide 4-Bromo-m-xylene (2-Chloroethoxy)benzene (2-Chloroethyl)benzene

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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.