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Merck
CN

280097

3-Bromoiodobenzene

98%

Synonym(s):

1-Bromo-3-iodobenzene, 1-Iodo-3-bromobenzene, 3-Bromo-1-iodobenzene, 3-Bromophenyl iodide, 3-Iodo-1-bromobenzene, 3-Iodobromobenzene, 3-Iodophenyl bromide, m-Bromoiodobenzene

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About This Item

Linear Formula:
BrC6H4I
CAS Number:
591-18-4
Molecular Weight:
282.90
NACRES:
NA.22
PubChem Substance ID:
24856928
UNSPSC Code:
12352100
EC Number:
209-703-9
MDL number:
MFCD00001043
Assay:
98%
Form:
liquid

Key Documents

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InChI key

CTPUUDQIXKUAMO-UHFFFAOYSA-N

InChI

1S/C6H4BrI/c7-5-2-1-3-6(8)4-5/h1-4H

SMILES string

Brc1cccc(I)c1

assay

98%

form

liquid

contains

copper as stabilizer

refractive index

n20/D 1.66 (lit.)

bp

120 °C/18 mmHg (lit.)

mp

−9.3-−9 °C (lit.)

density

2.219 g/mL at 25 °C (lit.)

functional group

bromo, iodo

Quality Level

200

Related Categories

Application

3-Bromoiodobenzene has been used in the preparation of:
  • 1-(3′-bromophenyl)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-ene
  • 1-(3′-bromophenyl)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene
  • oxygen-tethered 1,6-enynes

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

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

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Certificates of Analysis (COA)

Lot/Batch Number
BCCK7719
BCCB7303
BCCB4882
BCBW3012
BCBV0764

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Efficient access to perfluoroalkylated aryl compounds by Heck reaction.
Darses S, et al.
European Journal of Organic Chemistry, 2001(6), 1121-1128 (2001)
Alexandre Pradal et al.
Beilstein journal of organic chemistry, 7, 1021-1029 (2011-09-15)
A comprehensive study on the asymmetric gold-catalyzed cycloisomerization reaction of heteroatom tethered 1,6-enynes is described. The cycloisomerization reactions were conducted in the presence of the chiral cationic Au(I) catalyst consisting of (R)-4-MeO-3,5-(t-Bu)(2)-MeOBIPHEP-(AuCl)(2) complex and silver salts (AgOTf or AgNTf(2)) in
Junpei Miyake et al.
Science advances, 3(10), eaao0476-eaao0476 (2017-10-28)
Proton exchange membrane fuel cells (PEMFCs) are promising devices for clean power generation in automotive, stationary, and portable applications. Perfluorosulfonic acid (PFSA) ionomers (for example, Nafion) have been the benchmark PEMs; however, several problems, including high gas permeability, low thermal

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