Home Halogens 1,2-Dibromobenzene

1,2-Dibromobenzene

CAS No.:
583-53-9
Catalog Number:
AG00390S
Molecular Formula:
C6H4Br2
Molecular Weight:
235.9040
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
$200
- +
Product Description
Catalog Number:
AG00390S
Chemical Name:
1,2-Dibromobenzene
CAS Number:
583-53-9
Molecular Formula:
C6H4Br2
Molecular Weight:
235.9040
MDL Number:
MFCD00000057
IUPAC Name:
1,2-dibromobenzene
InChI:
InChI=1S/C6H4Br2/c7-5-3-1-2-4-6(5)8/h1-4H
InChI Key:
WQONPSCCEXUXTQ-UHFFFAOYSA-N
SMILES:
Brc1ccccc1Br
UNII:
52K9W7U6EH
NSC Number:
60643
UN Number:
2711
Properties
Complexity:
62.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.866g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.906g/mol
Monoisotopic Mass:
233.868g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
Vibrational spectroscopic investigation (FT-IR and FT-Raman) on 1,2-dibromobenzene by HF and hybrid (LSDA and B3LYP) calculations. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120201
On the nature of the stabilization of benzene···dihalogen and benzene···dinitrogen complexes: CCSD(T)/CBS and DFT-SAPT calculations. Chemphyschem : a European journal of chemical physics and physical chemistry 20111209
Enantiopure 1,2-bis(tert-butylmethylphosphino)benzene as a highly efficient ligand in rhodium-catalyzed asymmetric hydrogenation. Organic letters 20101001
1,2-Bis(2-methyl-5-phenyl-3-thien-yl)benzene. Acta crystallographica. Section E, Structure reports online 20091201
Modular synthesis of indoles from imines and o-dihaloarenes or o-chlorosulfonates by a Pd-catalyzed cascade process. Journal of the American Chemical Society 20090325
Development of an enzyme-linked immunosorbent assay for determination of the miticide bromopropylate. Journal of agricultural and food chemistry 20090128
A novel modular approach to triazole-functionalized phthalocyanines using click chemistry. The Journal of organic chemistry 20090102
Static and dynamic bimolecular fluorescence quenching of porphyrin dendrimers in solution. Journal of fluorescence 20080901
Bulky N-substituted 1,3-benzazaphospholes: access via Pd-catalyzed C-N and C-P cross coupling, lithiation, and conversion to novel P=C-PtBu2 hybrid ligands. Inorganic chemistry 20080804
Copper-catalyzed domino annulation approaches to the synthesis of benzoxazoles under microwave-accelerated and conventional thermal conditions. The Journal of organic chemistry 20080502
Household vacuum cleaners vs. the high-volume surface sampler for collection of carpet dust samples in epidemiologic studies of children. Environmental health : a global access science source 20080101
Halogen-metal exchange in 1,2-dibromobenzene and the possible intermediacy of 1,2-dilithiobenzene. The Journal of organic chemistry 20071207
Integrated micro flow synthesis based on sequential Br-Li exchange reactions of p-, m-, and o-dibromobenzenes. Chemistry, an Asian journal 20071203
Reaction of 1,2-dibromobenzene with the Si(111)-7x7 surface, a DFT study. The journal of physical chemistry. B 20051208
An advantageous route to oxcarbazepine (trileptal) based on palladium-catalyzed arylations free of transmetallating agents. Organic letters 20051027
Synthesis and optical resolution of 9,9'-spirobifluorene-1,1'-diol. Organic letters 20040708
Regiospecific metalation of oligobromobenzenes. The Journal of organic chemistry 20030627
Analytical procedure for the determination of chlorobenzenes in sediments. Journal of chromatographic science 20030201
Comparison of tissue distribution and metabolism of 1,2- and 1,4-dibromobenzenes in female rats. International journal of occupational medicine and environmental health 20020101
Hepatotoxicity of brominated benzenes: relationship between chemical structure and hepatotoxic effects in acute intoxication of mice. Archives of toxicology 19980101
Comparison of hepatotoxicity of 1,2-, 1,3- and 1,4-dibromobenzenes: the dynamics of changes of selected parameters of liver necrosis in acute poisoning in mice. Journal of applied toxicology : JAT 19960101
Properties