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16602

Sigma-Aldrich

Methyl 2-bromohexanoate

≥99.0% (GC)

Synonym(s):

Methyl 2-bromocaproate

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About This Item

Linear Formula:
CH3(CH2)3CHBrCOOCH3
CAS Number:
Molecular Weight:
209.08
Beilstein:
1722052
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

≥99.0% (GC)

refractive index

n20/D 1.455

density

1.289 g/mL at 20 °C (lit.)

functional group

bromo
ester

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

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.

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

156.2 °F - closed cup

Flash Point(C)

69 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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