Methyl 5-bromovalerate (C6H11BrO2)

Looking for routes to Methyl 5-bromovalerate? Methyl 5-bromovalerate presents a C6 framework, halogen substitution. Use the planner with prefilled SMILES, or copy COC(=O)CCCCBr (CAS 5454-83-1).

Target: Methyl 5-bromovalerate
CAS: 5454-83-1
Formula: C6H11BrO2
Approx. MW: 195.06
SMILES: COC(=O)CCCCBr
PubChem CID: 79557
Approx. carbons: C6

Methyl 5-bromovalerate structure

Properties

IUPAC name: methyl 5-bromopentanoate
Common names: Methyl 5-bromovalerate; Methyl 5-bromopentanoate; Pentanoic acid, 5-bromo-, methyl ester; EINECS 226-709-7; Br(CH2)4C(O)OCH3; DTXSID4063907; RAVVJKCSZXAIQP-UHFFFAOYSA-; RefChem:157680; DTXCID3041744; 226-709-7
Molecular weight: 195.05
Exact mass: 193.99
InChIKey: RAVVJKCSZXAIQP-UHFFFAOYSA-N

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Methyl 5-bromovalerate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Methyl 5-bromovalerate?

Methyl 5-bromovalerate has molecular formula C6H11BrO2. Molecular weight about 195.06 g·mol⁻¹.

What is the CAS number of Methyl 5-bromovalerate?

The CAS Registry Number for Methyl 5-bromovalerate is 5454-83-1.

Run AI retrosynthesis for Methyl 5-bromovalerate Target catalog AI tools overview

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Related targets

Similar compounds

Ethyl 2-bromoisobutyrate Ethyl 4-bromobutyrate tert-Butyl bromoacetate 1-Bromo-2-ethylbutane 1-Bromo-6-chlorohexane 1-Bromohexane

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References & tools

ChemicalHelper Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.