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Safety Information

249289

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[1]
  • 2-mercaptohexanoic acid derivatives[2]
  • chloroquinoxaline N-oxide[3]

Pictograms

CorrosionExclamation mark
GHS05,GHS07

Signal Word

Danger

Hazard Statements

H302,H314

Hazard Classifications

Acute Tox. 4 Oral - Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

204.8 °F - closed cup

Flash Point(C)

96 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

249289-VAR:
249289-BULK:
249289-1KG:
249289-5G:
249289-25G:

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Certificates of Analysis (COA)

Lot/Batch Number
06625LN
01905HP

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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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