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Merck
CN

52100

Hexachlorobenzene

puriss., ≥99.0% (GC)

Synonym(s):

HCB

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About This Item

Empirical Formula (Hill Notation):
C6Cl6
CAS Number:
118-74-1
Molecular Weight:
284.78
EC Number:
204-273-9
UNSPSC Code:
12352100
MDL number:
MFCD00000540
Beilstein/REAXYS Number:
1912585

Key Documents

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InChI

1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9

InChI key

CKAPSXZOOQJIBF-UHFFFAOYSA-N

SMILES string

Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

grade

puriss.

assay

≥99.0% (GC)

bp

323-326 °C (lit.)

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pictograms

Health hazardEnvironment
GHS08,GHS09

signalword

Danger

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Carc. 1B - STOT RE 1 Oral

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

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Barry C Kelly et al.
Science (New York, N.Y.), 317(5835), 236-239 (2007-07-14)
Substances that accumulate to hazardous levels in living organisms pose environmental and human-health risks, which governments seek to reduce or eliminate. Regulatory authorities identify bioaccumulative substances as hydrophobic, fat-soluble chemicals having high octanol-water partition coefficients (K(OW))(>/=100,000). Here we show that
Sylvie Mavel et al.
Bioorganic & medicinal chemistry, 20(4), 1388-1395 (2012-02-04)
The dopamine transporter (DAT) plays a pivotal role in the regulation of dopamine neurotransmission, and is involved in a number of physiological functions and brain disorders. Furthermore the DAT analysis by molecular imaging techniques is a useful tool for the
Takeki Uehara et al.
Molecular nutrition & food research, 54(2), 218-227 (2009-12-31)
Biotechnology advances have provided novel methods for the risk assessment of chemicals. The application of microarray technologies to toxicology, known as toxicogenomics, is becoming an accepted approach for identifying chemicals with potential safety problems. Gene expression profiling is expected to
A A Toropov et al.
European journal of medicinal chemistry, 43(4), 714-740 (2007-07-17)
Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and organic compounds of different classes by optimal descriptors. Statistical characteristics of the best model (vitamins) are the
Denis Fourches et al.
Chemical research in toxicology, 23(1), 171-183 (2009-12-18)
Drug-induced liver injury is one of the main causes of drug attrition. The ability to predict the liver effects of drug candidates from their chemical structures is critical to help guide experimental drug discovery projects toward safer medicines. In this

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