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1-Bromo-3-iodobenzene

1-Bromo-3-iodobenzene structure

CAS No:
591-18-4
Formula:
C6H4BrI
Chemical Name:
1-Bromo-3-iodobenzene
Synonyms:
Benzene,1-bromo-3-iodo-;1-Bromo-3-iodobenzene;m-Bromoiodobenzene;3-Bromophenyl iodide;3-Iodobromobenzene;3-Bromoiodobenzene;1-Iodo-3-bromobenzene;3-Bromo-1-iodobenzene;3-Iodo-1-bromobenzene;3-Iodophenyl bromide
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

Clear colourless to light yellow liquid

1-Bromo-3-iodobenzene Basic Attributes

Molecular Weight：

282.9

Exact Mass：

282.90

BRN：

1854384

EC Number：

209-703-9

DSSTox ID：

DTXSID9060447

HScode：

29039990

Characteristics

PSA：

XLogP3：

Density：

2.2±0.1 g/cm3

Melting Point：

-9.3 °C

Boiling Point：

252 °C

Flash Point：

>230 °F

Refractive Index：

1.655

Water Solubility：

H2O: insoluble

Safety Information

Hazard category：

IRRITANT, LIGHT SENSITIVE

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39-24/25

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 49 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Bromo-3-iodobenzene Use and Manufacturing

Methods of Manufacturing

General procedure: To a 15 mL test tube with septum Cs2CO3 (0.6 mmol, 195 mg), aromaticcarboxylic acid (1) (0.3 mmol), [Ir(dF(CF3)ppy)2dtbbpy]PF6 (D) (6 μmmol, 6.7 mg), NIS (1.5mmol, 337.5 mg) and I2 (60 μmol, 20 molpercent) were added. The tube was evacuated and backfilledwith argon for three times, and then 3 mL of dry DCE was added through a syringer under argon.The tube was sealed with Parafilm Mr® and placed in an oil bath with a contact thermometer, andthe reaction was carried out at 50 °C under irradiation with 6 × 5 W blue LEDs (λmax = 455 nm).After 24 h or 36 h, the resulting mixture was filtered through a 2 cm thick pad of silica, and thesilica was washed with DCM) (50 mL). The filtrate was collected and the solvent was removed invacuo. The crude residue was purified by silica gel flash column chromatography to provide thetarget product (2). (Note: The reaction was very sensitive to moisture, and the yields sharplydecreased to less than 5percent when 0.01 equivalent of H2O was added to the reaction system).[00216] A mixture of 3 -bromobenzoic acid (0.40 g, 2.0 mmol), l-iodo-3, 5, 5- trimethylhydantoin (0.80 g, 3.0 mmol), and CC (10 mL) was refluxed under irradiation with tungsten lamp for 15 h. The cold reaction mixture was washed with 1 M aq Na

Manufacturing Info：

Benzene, 1-bromo-3-iodo-: ACTIVE

Computed Properties

Molecular Weight:282.90
XLogP3:4
Exact Mass:281.85411
Monoisotopic Mass:281.85411
Heavy Atom Count:8
Complexity:74.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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