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2-BROMO-1-CHLORO-4-IODOBENZENE

2-BROMO-1-CHLORO-4-IODOBENZENE structure

CAS No:
31928-46-8
Formula:
C6H3BrClI
Chemical Name:
2-BROMO-1-CHLORO-4-IODOBENZENE
Synonyms:
2-BROMO-1-CHLORO-4-IODOBENZENE;1-Bromo-2-chloro-5-iodobenzene;3-Bromo-4-chloroiodobenzene;2-Bromo-1-chloro-4-iodo-benzene;Benzene,2-bromo-1-chloro-4-iodo-;2-Bromo-1-chloro-4-iodobenzene, 98%;Benzene, 2-bromo-1-chloro-4-iodo-;ACMC-209hpp;SCHEMBL14893542;3-Bromo-4-chloro-1-iodobenzene
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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2-BROMO-1-CHLORO-4-IODOBENZENE Basic Attributes

Molecular Weight：

317.35

Exact Mass：

315.81500

DSSTox ID：

DTXSID60679534

HScode：

2903999090

Characteristics

PSA：

XLogP3：

3.9

Density：

2.272±0.06 g/cm3(Predicted)

Boiling Point：

286.7±25.0°C at 760 mmHg

Storage Conditions：

Refrigerated.

2-BROMO-1-CHLORO-4-IODOBENZENE Use and Manufacturing

General procedure: A mixture of 2, 4-dibromothiazole (Compound 8A) (3.9 g, 16 mmol), 3, 4- dichlorophenylboronic acid (3.05 g, 16 mol), Pd(dppf)C12 (0.7 g, 0.87 mmol), and cesium carbonate (15 g, 46 mmol) in DME (120 mL) and water (10 mL) was heated at reflux under nitrogen overnight. The reaction mixture was diluted with water (100 mL) and extracted with ethyl acetate (200 mL x 2). The combined extracts were washed with water (200 mL) and brine (200 mL), dried over anhydrous sodium sulfate, filtered, and concentrated. The residue was purified with flash column chromatography on silica gel (ethyl acetate in petroleum ether, from 0% to 10% v/v) to yield Compound 8B. LC-MS (ESI) m/z: 308 [M+H]t

Computed Properties

Molecular Weight:317.35
XLogP3:3.9
Exact Mass:315.81514
Monoisotopic Mass:315.81514
Heavy Atom Count:9
Complexity:99.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-BROMO-1-CHLORO-4-IODOBENZENE

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
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2-BROMO-1-CHLORO-4-IODOBENZENE

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