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3,3',5,5'-Tetrabromo-1,1'-biphenyl

Catalog Number
ACM16400503-2
Product Name
3,3',5,5'-Tetrabromo-1,1'-biphenyl
Structure
CAS
16400-50-3
Category
Liquid Crystal (LC) Materials
Synonyms
1,3-Dibromo-5-phenylbenzene
IUPAC Name
1,3-dibromo-5-(3,5-dibromophenyl)benzene
Molecular Weight
469.79
Molecular Formula
C12H6Br4
Canonical SMILES
C1=C(C=C(C=C1Br)Br)C2=CC(=CC(=C2)Br)Br
InChI
InChI=1S/C12H6Br4/c13-9-1-7(2-10(14)5-9)8-3-11(15)6-12(16)4-8/h1-6H
InChI Key
FXJXZYWFJAXIJX-UHFFFAOYSA-N
Boiling Point
185-190 °C
Melting Point
401.8 ± 40.0 °C
Purity
98%
Density
2.140 ± 0.06 g/ml
Appearance
Dark gray solid
Complexity
189
Covalently-Bonded Unit Count
1
Exact Mass
469.7162g/mol
Formal Charge
0
Hazard Statements
H302-H317-H319-H412
Heavy Atom Count
16
Monoisotopic Mass
465.7203g/mol
Rotatable Bond Count
1
UNII
4G4R89X711
XLogP3
6.3
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