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Sigma-Aldrich

Ethyl 7-bromoheptanoate

97%

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About This Item

Linear Formula:
Br(CH2)6CO2C2H5
CAS Number:
29823-18-5
Molecular Weight:
237.13
EC Number:
249-883-6
MDL number:
MFCD00037103
UNSPSC Code:
12352100
PubChem Substance ID:
24864513
NACRES:
NA.22

Quality Level

100

assay

97%

refractive index

n20/D 1.459 (lit.)

bp

112 °C/5 mmHg (lit.)

mp

29 °C (lit.)

density

1.217 g/mL at 25 °C (lit.)

SMILES string

CCOC(=O)CCCCCCBr

InChI

1S/C9H17BrO2/c1-2-12-9(11)7-5-3-4-6-8-10/h2-8H2,1H3

InChI key

OOBFNDGMAGSNKA-UHFFFAOYSA-N

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General description

Ethyl 7-bromoheptanoate is a bromoester. It is used as an alkylating agent for organic compounds. It participates in the synthesis of ω-chain shortened prostaglandins.

Application

Ethyl 7-bromoheptanoate may be used in the following studies:
  • As a starting material in the synthesis of benzyl 7-iodoheptanoate.
  • As one of the reactant in the synthesis of diethyl 7,7′-(2,5-diiodo-1,4-phenylene)bis(oxy)diheptanoate.
  • As one of the reagent in the synthesis of CarnDOD-7C, a carnitine-derived nitrone.
  • As an alkylating agent in the alkylation of ethyl 3-oxoglutarate to form 2-(6-ethoxycarbonylhexyl)-3-oxoglutarate.
  • Synthesis of 1-substituted cyclopentadiene by alkylating lithium cyclopentadienide.5

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Gloves, 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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