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Merck
CN

324728

Ethyl 6-bromohexanoate

99%

Synonym(s):

6-Bromohexanoic acid ethyl ester, Ethyl 6-bromocapronate

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About This Item

Linear Formula:
Br(CH2)5COOCH2CH3
CAS Number:
Molecular Weight:
223.11
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
247-085-2
Beilstein/REAXYS Number:
1756051
MDL number:
Assay:
99%
Form:
liquid
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InChI key

DXBULVYHTICWKT-UHFFFAOYSA-N

InChI

1S/C8H15BrO2/c1-2-11-8(10)6-4-3-5-7-9/h2-7H2,1H3

SMILES string

CCOC(=O)CCCCCBr

assay

99%

form

liquid

Quality Level

bp

128-130 °C/16 mmHg (lit.)

density

1.254 g/mL at 25 °C (lit.)

functional group

bromo, ester

General description

Ethyl 6-bromohexanoate is an ω-bromoacid ester.

Application

Ethyl 6-bromohexanoate was used in the preparation of various carnitine derivatives in a carnitine transporter study. It was also used for alkylation of pentane-2,4-dione.

Other Notes

May darken in storage

pictograms

FlameExclamation mark

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

136.9 °F - closed cup

flash_point_c

58.3 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Angelo Lanzilotto et al.
Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry, 23(1), 109-122 (2017-12-09)
A new water-soluble photocatalyst for singlet oxygen generation is presented. Its absorption extends to the red part of the spectrum, showing activity up to irradiation at 660 nm. Its efficiency has been compared to that of a commercial analogue (Rose Bengal)
An Improved Procedure for Mono C-Alkylation of Pentane-2.4-Dione with ?-Bromoacid Esters.
Shrout DP and Lightner DA.
Synthetic Communications, 20(13), 2075-2080 (1990)
Atsushi Enomoto et al.
The Journal of biological chemistry, 277(39), 36262-36271 (2002-06-29)
l-Carnitine is an essential component of mitochondrial fatty acid beta-oxidation and plays a pivotal role in the maturation of spermatozoa within the male reproductive tract. Epididymal plasma contains the highest levels of l-carnitine found in the human body, and initiation
D Timothy Anstine et al.
Monatshefte fur chemie, 145(7), 1117-1135 (2014-08-12)
Three new linear pentapyrrole rubinoid analogs: 2,3,7,8,17,18,22,23-octamethyl-12,13-bis-(2-carboxyethyl)-1,10,15,24,25,27,28,29-octahydro-27H-pentapyrrin-1,24-dione and 2,3,8,12,13,17,22,23-octamethyl-7,18-bis-(2-carboxyethyl)-1,10,15,24,25,26,27,28,29-octahydro-27H-pentapyrrin-1,24-dione, and its 7,18-dihexanoic acid analog were synthesized, respectively, from 2,3,7,8-tetramethyl-(10H)-dipyrrin-2-one, from 2,3,8-trimethyl-7-[2-(methoxycarbonyl)ethyl]-(10H)-dipyrrinone, and 2,3,8-trimethyl-7-[5-(methoxycarbonyl)pentyl]-(10H)-dipyrrinone. 13C NMR and 1H NMR measurements in (CD3)2SO confirmed the pentapyrrole structures, while 1H NMR data indicate

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