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Hexabromobenzene

Catalog Number
ACM87821-1
Product Name
Hexabromobenzene
Structure
CAS
87-82-1
Category
Plastic Additives
Synonyms
Benzene, hexabromo-
Description
Monoclinic needles or white powder. Insoluble in water. (NTP, 1992)
IUPAC Name
1,2,3,4,5,6-Hexabromobenzene
Molecular Weight
551.5
Molecular Formula
C6Br6
Canonical SMILES
C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)Br
InChI
InChI=1S/C6Br6/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChI Key
CAYGQBVSOZLICD-UHFFFAOYSA-N
Boiling Point
405.75 °C
Melting Point
>300 °C
Purity
98%
Density
2.956 g/cm3
Solubility
Insoluble (NTP, 1992);2.90e-10 M;SOL IN ACETIC ACID; SLIGHTLY SOL IN ALC, ETHER;> 10% in benzene;> 10% in chloroform;> 10% in petroleum ether;In water = 0.16X10-3 mg/l at 25 °C
Color/Form
MONOCLINIC NEEDLES FROM BENZENE
Complexity
104
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
EC Number
201-773-9
Exact Mass
551.5038
Formal Charge
0
Hazard Statements
H315-H319-H335
Heavy Atom Count
12
Hydrogen Bond Acceptor Count
0
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Log P
6.07 (LogP);Log Kow= 6.07
MeSH Entry Terms
hexabromobenzene
Monoisotopic Mass
551.5038
NSC Number
113975
Rotatable Bond Count
0
Topological Polar Surface Area
0 Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
UNII
T01859XWIR
UN Number
3077
XLogP3
6.1
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