CAS 87-82-1 Hexabromobenzene - Materials / Alfa Chemistry

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Hexabromobenzene

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Catalog Number

ACM87821-1

CAS Number

87-82-1

Product Name

Hexabromobenzene

Structure

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

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

EC Number

201-773-9

Exact Mass

551.5038

Formal Charge

Hazard Statements

H315-H319-H335

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Log P

6.07 (LogP);Log Kow= 6.07

MeSH Entry Terms

hexabromobenzene

Monoisotopic Mass

551.5038

NSC Number

113975

Rotatable Bond Count

Topological Polar Surface Area

0 Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

UNII

T01859XWIR

UN Number

3077

XLogP3

6.1

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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