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16602 Sigma-Aldrich

Methyl 2-bromohexanoate

≥99.0% (GC)

Synonym: Methyl 2-bromocaproate

  • CAS Number 5445-19-2

  • Linear Formula CH3(CH2)3CHBrCOOCH3

  • Molecular Weight 209.08

  •  Beilstein/REAXYS Number 1722052

  •  EC Number 226-643-9

  •  MDL number MFCD00045038

  •  PubChem Substance ID 57647581

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters,
Quality Level   100
assay   ≥99.0% (GC)
refractive index   n20/D 1.455
density   1.289 g/mL at 20 °C (lit.)
SMILES string   CCCCC(Br)C(=O)OC
InChI   1S/C7H13BrO2/c1-3-4-5-6(8)7(9)10-2/h6H,3-5H2,1-2H3
InChI key   YGLPDRIMFIXNBI-UHFFFAOYSA-N

Description

General description

Methyl 2-bromohexanoate undergoes addition reaction with methyl-10-undecenoate to yield lactone and dimethyl-2-butyltridecandioate.

Application

Methyl 2-bromohexanoate was used in the synthesis of 2-butyl-2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one.

Packaging

100 mL in glass bottle

Safety & Documentation

Safety Information

WGK Germany 
WGK 3
Flash Point(F) 
156.2 °F - closed cup
Flash Point(C) 
69 °C - closed cup

Documents

Certificate of Analysis (COA)

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Protocols & Articles
Peer-Reviewed Papers
15

References

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