694-80-4 | 2-Bromochlorobenzene

Packsize	Purity	Availability	Price	Discounted Price
25g	97%	in stock	$18.00	$13.00
100g	97%	in stock	$43.00	$30.00
500g	97%	in stock	$59.00	$41.00

Description

• Catalog Number: AH27701
• Chemical Name: 2-Bromochlorobenzene
• CAS Number: 694-80-4
• Molecular Formula: C6H4BrCl
• Molecular Weight: 191.4530
• MDL Number: MFCD00000532
• SMILES: C1=CC=C(C(=C1)Cl)Br
• NSC Number: 59694

Computed Properties

• Complexity: 74.9
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 8
• XLogP3: 3.2

Literature

• 1-(2-Chloro-phen-yl)-2-(2-methyl-5-phenyl-3-thien-yl)-3,3,4,4,5,5-hexa-fluoro-cyclo-pent-1-ene: a new photochromic diaryl-ethene.

  Acta crystallographica. Section E, Structure reports online 20080601

• Bromine as the ortho-directing group in the aromatic metalation/silylation of substituted bromobenzenes.

  The Journal of organic chemistry 20031128

• Complete prediction of the 1H NMR spectrum of organic molecules by DFT calculations of chemical shifts and spin-spin coupling constants.

  Chemistry (Weinheim an der Bergstrasse, Germany) 20010417