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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
EC Number:
209-703-9
MDL number:
MFCD00001043
UNSPSC Code:
12352100
PubChem Substance ID:
24856928
NACRES:
NA.22

Key Documents

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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

SMILES string

Brc1cccc(I)c1

InChI

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

InChI key

CTPUUDQIXKUAMO-UHFFFAOYSA-N

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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

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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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