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Merck
CN

36555

1,3,5-Trichlorobenzene

PESTANAL®, analytical standard

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About This Item

Empirical Formula (Hill Notation):
C6H3Cl3
CAS Number:
108-70-3
Molecular Weight:
181.45
EC Number:
203-608-6
UNSPSC Code:
41116107
PubChem Substance ID:
329755395
Beilstein/REAXYS Number:
1635233
MDL number:
MFCD00000585

Key Documents

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InChI key

XKEFYDZQGKAQCN-UHFFFAOYSA-N

InChI

1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H

SMILES string

Clc1cc(Cl)cc(Cl)c1

grade

analytical standard

product line

PESTANAL®

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

bp

208 °C (lit.)

mp

56-60 °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 markEnvironment
GHS07,GHS09

signalword

Warning

hcodes

H302,H411

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 2

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

224.6 °F - closed cup

flash_point_c

107 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCB7465

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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
Hongmei Hu et al.
Journal of chromatographic science, 52(5), 375-382 (2013-05-07)
A simple, rapid, sensitive and high throughput method is described, based on solid-phase disk extraction (SPDE) and gas chromatography-electron capture detection, for the determination of chlorobenzens (CBs) in water samples. The proposed SPDE sample pretreatment method was initially optimized and
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
Brian D Fitz et al.
Journal of chromatography. A, 1392, 82-90 (2015-03-31)
Low thermal mass gas chromatography (LTM-GC) was evaluated for rapid, high peak capacity separations with three injection methods: liquid, headspace solid phase micro-extraction (HS-SPME), and direct vapor. An Agilent LTM equipped with a short microbore capillary column was operated at

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