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4,4'-dibromobiphenyl-d8

CAT: 1568-C04918-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C04918-5mgSize:5 mg
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CAS Number
80523-79-1
Additionnal Information
4,4'-dibromobiphenyl-d8 is the deuterated derivative of 4,4'-Dibromobiphenyl. 4,4'-Dibromobiphenyl is an important intermediate in polymer materials and the electronics industry, and is used in polymer synthesis as a flame retardant or crosslinking agent.

Chemical Information

4,4'-Dibromobiphenyl-d8
CAS Number80523-79-1
PubChem CID10734421
IUPAC Name1-bromo-4-(4-bromo-2,3,5,6-tetradeuteriophenyl)-2,3,5,6-tetradeuteriobenzene
Molecular FormulaC12H8Br2
Molecular Weight320.05
XLogP5.7
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity145
SMILES
[2H]C1=C(C(=C(C(=C1C2=C(C(=C(C(=C2[2H])[2H])Br)[2H])[2H])[2H])[2H])Br)[2H]
InChI
InChI=1S/C12H8Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H/i1D,2D,3D,4D,5D,6D,7D,8D
InChIKey
HQJQYILBCQPYBI-PGRXLJNUSA-N
Chemical Structure
2D Structure
2D structure of 4,4'-Dibromobiphenyl-d8
CAS: 80523-79-1
CID: 10734421
Formula: C12H8Br2
MW: 320.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.05
XLogP35.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass319.94744
Monoisotopic Mass317.94949
Topological Polar Surface Area0 Ų
Heavy Atom Count14
Formal Charge0
Complexity145
Isotope Atom Count8
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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