CAS 91-13-4 | 1,2-Bis(bromomethyl)benzene | CAS Number 91-13-4

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91-13-4 | 1,2-Bis(bromomethyl)benzene

CAS No: 91-13-4 Catalog No: AG003TIZ MDL No:MFCD00000175

Product Description

Catalog Number:

AG003TIZ

Chemical Name:

1,2-Bis(bromomethyl)benzene

CAS Number:

91-13-4

Molecular Formula:

C8H8Br2

Molecular Weight:

263.9571

MDL Number:

MFCD00000175

IUPAC Name:

1,2-bis(bromomethyl)benzene

InChI:

InChI=1S/C8H8Br2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2

InChI Key:

KGKAYWMGPDWLQZ-UHFFFAOYSA-N

SMILES:

BrCc1ccccc1CBr

EC Number:

202-042-7

UNII:

9FRJ55E5UL

NSC Number:

3986

Properties

Complexity:

81.3

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

263.897g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

263.96g/mol

Monoisotopic Mass:

261.899g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Vibrational, conformational and electronic structure investigations of α,α'-dibromo-o-xylene, α,α'-dibromo-m-xylene and α,α'-dibromo-p-xylene.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120601
3,3'-[1,2-Phenyl-enebis(methyl-ene)]bis-(1-octylbenzimidazolium) dibromide monohydrate.	Acta crystallographica. Section E, Structure reports online 20120401
3,3'-[1,2-Phenyl-enebis(methyl-ene)]bis-(1-ethyl-benzimidazolium) dibromide.	Acta crystallographica. Section E, Structure reports online 20120301
3,3'-[1,2-Phenyl-enebis(methyl-ene)]bis-(1-propyl-benzimidazolium) dibromide hemihydrate.	Acta crystallographica. Section E, Structure reports online 20120201
3,3'-Diallyl-1,1'-[o-phenyl-enebis(methyl-ene)]diimidazol-3-ium bis-(hexa-fluoro-phosphate).	Acta crystallographica. Section E, Structure reports online 20110901
3,3'-[1,2-Phenyl-enebis(methyl-ene)]bis-(1-heptyl-benzimidazolium) dibromide monohydrate.	Acta crystallographica. Section E, Structure reports online 20110701
Coordination chemistry of cis,cis and trans,trans 1,1'-[1,2-phenylenebis(methylene)]bis(2,2,3,4,4-pentamethylphosphetane).	Dalton transactions (Cambridge, England : 2003) 20100428
Synthesis of (+/-)-bistellettadine A.	Organic letters 20100219
cis-1,2-Bis{[4-(4-pyrid-yl)pyrimidin-2-yl]sulfanylmeth-yl}benzene.	Acta crystallographica. Section E, Structure reports online 20091201
Structural comparisons of silver(I) complexes of third-generation ligands built from tridentate (o-C(6)H(4)[CH(2)OCH(2)C(pz)(3)](2)) versus bidentate poly(1-pyrazolyl)methane units (o-C(6)H(4)[CH(2)OCH(2)CH(pz)(2)](2)) (pz = pyrazolyl ring).	Inorganic chemistry 20071224
Practical asymmetric Henry reaction catalyzed by a chiral diamine-Cu(OAc)2 complex.	Organic letters 20070830
One-pot regioselective synthesis of 2(I),3(I)-O-(o-xylylene)-capped cyclomaltooligosaccharides: tailoring the topology and supramolecular properties of cyclodextrins.	Chemical communications (Cambridge, England) 20070821
Synthesis, structure, and redox properties of N-confused bis(porphyrinatonickel(II)) linked by o-xylene.	Inorganic chemistry 20070305
New ligand systems incorporating two and three 4,4'-bipyridine units. Characterization of bi- and trimetallic rhodium and iridium complexes.	Inorganic chemistry 20041101