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Home Halogens 2-Bromochlorobenzene

2-Bromochlorobenzene

CAS No.:
694-80-4
Catalog Number:
AG00FLNH
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$50
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG00FLNH
Chemical Name:
2-Bromochlorobenzene
CAS Number:
694-80-4
MDL Number:
MFCD00000532
IUPAC Name:
1-bromo-2-chlorobenzene
InChI:
InChI=1S/C6H4BrCl/c7-5-3-1-2-4-6(5)8/h1-4H
InChI Key:
QBELEDRHMPMKHP-UHFFFAOYSA-N
UNII:
PEC7Z3YX6P
NSC Number:
59694
Properties
Complexity:
74.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.918g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.452g/mol
Monoisotopic Mass:
189.918g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
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
Properties