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Home > Encyclopedia > 1-Bromo-3-chloro-2-iodobenzene

1-Bromo-3-chloro-2-iodobenzene

1-Bromo-3-chloro-2-iodobenzene structure

1-Bromo-3-chloro-2-iodobenzene 

structure
  • CAS No:

    450412-28-9

  • Formula:

    C6H3BrClI

  • Chemical Name:

    1-Bromo-3-chloro-2-iodobenzene

  • Synonyms:

    Benzene,1-bromo-3-chloro-2-iodo-;1-Bromo-3-chloro-2-iodobenzene

1-Bromo-3-chloro-2-iodobenzene Basic Attributes

317.36

317.35

DTXSID50438359

2903999090

Characteristics

0

3.9

Solid

2.3±0.1 g/cm3

75-76 °C @ Solvent: Ethanol

285.9°C at 760 mmHg

126.7±21.8 °C

1.663

Safety Information

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501

H302

|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Bromo-3-chloro-2-iodobenzene Use and Manufacturing

To a solution of diisopropylamine (76 mL, 0.4 mol) in anhydrous THF (664 mL) and n-hexane (220 mL) was added 2.5 M n-BuLi (160 mL, 0.4 mol) dropwise at -78 To a solution of diisopropylamine (76 mL, 0.4 mol) in anhydrous THF (664 mL) and n-hexane (220 mL) was added 2.5 M n-BuLi (160 mL, 0.4 mol) dropwise at -78° C. over 1 h. The mixture was stirred for 1 h at -78° C. and a solution of 1-bromo-3-chlorobenzene (76 g, 0.4 mol) in anhydrous THF (300 mL) was added dropwise at -78° C. After stirring for an additional 1 h at the same temperature, a solution of iodine (101 g, 0.4 mol) in anhydrous THF (400 mL) was added dropwise at -78° C. The temperature was raised from -78° C. to rt during 2 h. After stirring for 18 h at rt, the mixture was concentrated in vacuo to give the crude product (120 g) which was distilled under reduced pressure to give 1-bromo-3-fluoro-2-iodobenzene (115 g, 91percent). b) 6-Bromo-2-chloro-3 '-methyl-biphenylStep 1. l-bromo-3-chloro-2-iodobenzene: To a solution of diisopropylamine (76 mL, 0.4 mol) in anhydrous THF (664 mL) and n-hexane (220 mL) was added 2.5 M n-BuLi (160 mL, 0.4 mol) dropwise at -78 To a solution of diisopropylamine (76 mL, 0.4 mol) in anhydrous THF (664 niL) and n-hexane (220 mL) was added 2.5 M -BuLi (160 mL, 0.4 mol) dropwiseTo a solution of diisopropylamine (76 niL, 0.4 mol) in anhydrous THF (664 rnL) and n-hexane (220 rnL) was added 2.5 M n-BuLi (160 rnL, 0.4 mol) dropwise at -78

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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