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Sigma-Aldrich

Ethyl 2-bromohexanoate

99%

Synonym(s):

Ethyl 2-bromocapronate

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About This Item

Linear Formula:
CH3(CH2)3CHBrCOOCH2CH3
CAS Number:
615-96-3
Molecular Weight:
223.11
EC Number:
210-455-9
MDL number:
MFCD00000162
UNSPSC Code:
12352100
PubChem Substance ID:
24854984

assay

99%

refractive index

n20/D 1.45 (lit.)

bp

213-215 °C (lit.)

density

1.221 g/mL at 25 °C (lit.)

SMILES string

CCCCC(Br)C(=O)OCC

InChI

1S/C8H15BrO2/c1-3-5-6-7(9)8(10)11-4-2/h7H,3-6H2,1-2H3

InChI key

KOUAQOCYMAENKN-UHFFFAOYSA-N

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Application

Ethyl 2-bromohexanoate has been used in the preparation of:
  • ethyl 2,2-dibromohexanoate
  • 2-mercaptohexanoic acid derivatives
  • chloroquinoxaline N-oxide

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

hcodes

H302,H314

Hazard Classifications

Acute Tox. 4 Oral - Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk_germany

WGK 3

flash_point_f

204.8 °F - closed cup

flash_point_c

96 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Heiko Zettl et al.
Bioorganic & medicinal chemistry letters, 19(15), 4421-4426 (2009-06-27)
A novel and robust scaffold for highly active PPARalpha agonists based on the 2-mercaptohexanoic acid substructure is presented. Systematic structural variation of the substitution pattern of the phenolic backbone yielded detailed SAR especially of ortho and meta substituents. We corroborated
K S Kim et al.
Journal of medicinal chemistry, 36(16), 2335-2342 (1993-08-06)
A series of novel quinoxaline heterocycle containing angiotensin II receptor antagonist analogs were prepared. This heterocycle was coupled to the biphenyl moiety via an oxygen atom linker instead of a carbon atom. Many of these analogs exhibit very potent activity
Mitsuru Shindo et al.
Chemical & pharmaceutical bulletin, 51(4), 477-478 (2003-04-04)
Aliphatic alpha,alpha-dibromo esters, precursors of ynolates, were synthesized via bromination of lithium alpha-bromo ester enolates with 1,2-dibromotetrafluoroethane in good yields. alpha-Trimethylsilyl-alpha,alpha-dibromo esters were synthesized via radical bromination.

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