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Merck
CN

45524

Hexabromobenzene

PESTANAL®, analytical standard

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About This Item

Empirical Formula (Hill Notation):
C6Br6
CAS Number:
87-82-1
Molecular Weight:
551.49
EC Number:
201-773-9
UNSPSC Code:
41116107
PubChem Substance ID:
329756810
Beilstein/REAXYS Number:
1912586
MDL number:
MFCD00000058

Key Documents

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InChI key

CAYGQBVSOZLICD-UHFFFAOYSA-N

InChI

1S/C6Br6/c7-1-2(8)4(10)6(12)5(11)3(1)9

SMILES string

Brc1c(Br)c(Br)c(Br)c(Br)c1Br

grade

analytical standard

product line

PESTANAL®

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

mp

>300 °C (lit.)

application(s)

agriculture
environmental

format

neat

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Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Legal Information

PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 4 - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

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Joanna Wencel-Delord et al.
Angewandte Chemie (International ed. in English), 51(52), 13001-13005 (2012-10-23)
C(6)Br(six) & drugs! C(6)Br(6) can be used as the cooxidant/catalyst modifier for the [Rh(III)Cp*]-catalyzed (Cp*=C(5)Me(5)) dehydrogenative cross-coupling of benzamides with simple benzene derivatives (see scheme, DG=directing group). Similarly, heterocycles can be coupled and druglike structures formed. Mechanistic studies suggest a
Hans Peter H Arp et al.
Journal of environmental monitoring : JEM, 13(3), 505-513 (2010-12-09)
The brominated flame retardants (BFRs), pentabromotoluene (PBT), pentabromoethylbenzene (PBEB) and hexabromobenzene (HBB), exhibit physical-chemical properties similar to other persistent organic pollutants, and have been in use as flame retardants for several decades. Data on these BFRs in diverse environmental samples
Alterations of uroporphyrinogen decarboxylase by chlorinated organics.
G H Elder et al.
Annals of the New York Academy of Sciences, 514, 141-147 (1987-01-01)
Qiwu Zhang et al.
Chemosphere, 48(8), 787-793 (2002-09-12)
A hexabromobenzene (HBB, C6Br6) powder was subjected to co-grinding with excess CaO powder in air using a planetary ball mill to investigate mechanochemical debromination of the HBB sample. The reaction proceeds smoothly with an increase in both grinding time and
G Koss et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 24(4), 325-328 (1986-04-01)
The elimination times of porphyrins and their precursors and of hexabromobenzene (HBB) itself were studied in female rats given 15 mg HBB by stomach tube every other day for 4 months. The concentrations of HBB in the blood, liver and
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