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427691

Sigma-Aldrich

3-Iodbenzylbromid

95%

Synonym(e):

α-Bromo-m-iodotoluene, 1-(Bromomethyl)-3-iodobenzene, 3-(Bromomethyl)iodobenzene, m-Iodobenzylbromide

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About This Item

Lineare Formel:
IC6H4CH2Br
CAS-Nummer:
49617-83-6
Molekulargewicht:
296.93
MDL-Nummer:
MFCD00019016
UNSPSC-Code:
12352100
PubChem Substanz-ID:
24866775
NACRES:
NA.22

Assay

95%

mp (Schmelzpunkt)

46-51 °C (lit.)

SMILES String

BrCc1cccc(I)c1

InChI

1S/C7H6BrI/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2

InChIKey

BACZSVQZBSCWIG-UHFFFAOYSA-N

Verwandte Kategorien

Allgemeine Beschreibung

3-Iodobenzyl bromide (3-IBBr, m-iodobenzyl bromide) is a meta-isomer of iodobenzyl bromide. It can be synthesized by the bromination of m-iodotoluene.

Anwendung

3-Iodobenzyl bromide (3-IBBr, m-iodobenzyl bromide) was used as a derivatization reagent for the extraction and purification of thiouracil (TU).
It may be used in the synthesis of the following:
  • meta-substituted phenylalanine derivatives
  • N6-substituted aristeromycin derivative
  • (N)-methanocarba-N6-(3-iodobenzyl)adenosine

Piktogramme

Corrosion
GHS05

Signalwort

Danger

H-Sätze

H314

Gefahreneinstufungen

Eye Dam. 1 - Skin Corr. 1B

Lagerklassenschlüssel

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flammpunkt (°F)

235.4 °F - closed cup

Flammpunkt (°C)

113 °C - closed cup

Persönliche Schutzausrüstung

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

Analysenzertifikate (COA)

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Bull. Korean Chem. Soc., 22(9), 958-962 (2001)
Julie A L Kiebooms et al.
Applied and environmental microbiology, 80(23), 7433-7442 (2014-09-28)
In recent years, the frequent detection of the banned thyreostat thiouracil (TU) in livestock urine has been related to endogenous TU formation following digestion of glucosinolate-rich Brassicaceae crops. Recently, it was demonstrated that, upon in vitro digestion of Brassicaceae, fecal
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Journal of medicinal chemistry, 43(11), 2196-2203 (2000-06-08)
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