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2-Iodobenzyl bromide

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CAS:40400-13-3
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  • 2-Iodobenzyl bromide
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  • 2025-04-15
  • CAS:40400-13-3
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  • Purity: 99%
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2-Iodobenzyl bromide Basic information
Application
Product Name:2-Iodobenzyl bromide
Synonyms:Benzene,1-(bromomethyl)-2-iodo-;2-IODOBENZYL BROMIDE;ALPHA-BROMO-2-IODOTOLUENE;a-Bromo-2-iodotoluene;à-bromo-2-iodotoluene;2-Iodobenzyl bromid;2-Iodobenzylbromide,96%;1-Iodo-2-(bromomethyl)benzene
CAS:40400-13-3
MF:C7H6BrI
MW:296.93
EINECS:628-053-0
Product Categories:Aryl;C7;Halogenated Hydrocarbons
Mol File:40400-13-3.mol
2-Iodobenzyl bromide Structure
2-Iodobenzyl bromide Chemical Properties
Melting point 54-60 °C(lit.)
Boiling point 125 °C / 4mmHg
density 2.105±0.06 g/cm3(Predicted)
Fp >230 °F
storage temp. Keep in dark place,Inert atmosphere,2-8°C
solubility soluble in Methanol
form Crystalline Powder
color White to cream
Sensitive Light Sensitive
BRN 2079736
InChI1S/C7H6BrI/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
InChIKeyGQFITODJWOIYPF-UHFFFAOYSA-N
SMILESBrCc1ccccc1I
CAS DataBase Reference40400-13-3(CAS DataBase Reference)
Safety Information
Hazard Codes C,N,T
Risk Statements 22-34-43-51/53-63-42/43-36/37/38
Safety Statements 26-36/37/39-61-45-23
RIDADR UN 3261 8/PG 2
WGK Germany 2
HazardClass 8
PackingGroup 
HS Code 29039990
Storage Class8A - Combustible corrosive hazardous materials
Hazard ClassificationsAcute Tox. 4 Oral
Resp. Sens. 1
Skin Corr. 1B
MSDS Information
ProviderLanguage
2-Iodobenzyl bromide English
SigmaAldrich English
ALFA English
2-Iodobenzyl bromide Usage And Synthesis
Application2-Iodobenzylmethyl bromide is a halocarbon compound mainly used in laboratory research and development processes and chemical production processes.
Chemical PropertiesWhite solid
Synthesis
2-Iodobenzyl alcohol

5159-41-1

2-Iodobenzyl bromide

40400-13-3

General procedure for the synthesis of 2-iodobenzyl bromide from 2-iodobenzyl alcohol: 48% hydrobromic acid (10 mL) and 98% sulfuric acid (2 mL) were added to 2-iodobenzyl alcohol (0.94 g, 4.0 mmol). The resulting suspension was placed in an oil bath and heated and stirred at 150 °C for 2 hours. After completion of the reaction, the mixture was cooled to room temperature and extracted with dichloromethane (2 x 10 mL). The organic layers were combined, dried with anhydrous magnesium sulfate and concentrated under reduced pressure to give the crude product. The crude product was purified by fast column chromatography (silica gel, 0-20% dichloromethane/hexane gradient elution) to afford the target compound 2-iodobenzyl bromide (1.0 g, 84% yield).

References[1] Tetrahedron, 2005, vol. 61, # 13, p. 3311 - 3324
[2] Journal of Organic Chemistry, 2012, vol. 77, # 13, p. 5705 - 5713
[3] Helvetica Chimica Acta, 1995, vol. 78, p. 765 - 771
[4] Tetrahedron, 1993, vol. 49, # 20, p. 4439 - 4446
[5] Tetrahedron, 2002, vol. 58, # 44, p. 9007 - 9018
Tag:2-Iodobenzyl bromide(40400-13-3) Related Product Information
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