CAS 87-83-2 2,3,4,5,6-Pentabromotoluene - Materials / Alfa Chemistry

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2,3,4,5,6-Pentabromotoluene

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Catalog Number

ACM87832-1

CAS Number

87-83-2

Product Name

2,3,4,5,6-Pentabromotoluene

Structure

Category

Plastic Additives; Polymerization Additives

Synonyms

Pentabromotoluene

Description

Pentabromotoluene is a colorless powder. Insoluble in water. (NTP, 1992)

IUPAC Name

1,2,3,4,5-Pentabromo-6-methylbenzene

Molecular Weight

486.62

Molecular Formula

C7H3Br5

Canonical SMILES

CC1=C(C(=C(C(=C1Br)Br)Br)Br)Br

InChI

InChI=1S/C7H3Br5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3

InChI Key

OZHJEQVYCBTHJT-UHFFFAOYSA-N

Boiling Point

356.78 °C

Melting Point

285-286 °C

Purity

98%+

Density

3.0088 g/cm3

Solubility

Insoluble (<1 mg/ml) (NTP, 1992)

Complexity

146

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

EC Number

201-774-4

Exact Mass

485.61106

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

MeSH Entry Terms

2,3,4,5,6-pentabromotoluene;pentabromotoluene

Monoisotopic Mass

481.61516

Rotatable Bond Count

Topological Polar Surface Area

0 Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

UNII

87007N97G5

XLogP3

5.7

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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