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Merck
CN

36742

1,2,3-Trichlorobenzene

PESTANAL®, analytical standard

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About This Item

Empirical Formula (Hill Notation):
C6H3Cl3
CAS Number:
87-61-6
Molecular Weight:
181.45
EC Number:
201-757-1
UNSPSC Code:
41116107
PubChem Substance ID:
329755488
Beilstein/REAXYS Number:
956882
MDL number:
MFCD00000537

Key Documents

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InChI key

RELMFMZEBKVZJC-UHFFFAOYSA-N

InChI

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

SMILES string

Clc1cccc(Cl)c1Cl

grade

analytical standard

vapor density

6.25 (vs air)

vapor pressure

0.07 mmHg ( 25 °C)

product line

PESTANAL®

autoignition temp.

1059 °F

shelf life

limited shelf life, expiry date on the label

expl. lim.

6.6 %

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

bp

218-219 °C (lit.)

mp

51-53 °C (lit.)

application(s)

agriculture
environmental

format

neat

Quality Level

100

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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

H317,H410

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Skin Sens. 1B

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

260.6 °F - closed cup

flash_point_c

127.0 °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
BCCC9430

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Roger Lille-Langøy et al.
Toxicology and applied pharmacology, 284(1), 54-64 (2015-02-15)
Many persistent organic pollutants (POPs) accumulate readily in polar bears because of their position as apex predators in Arctic food webs. The pregnane X receptor (PXR, formally NR1I2, here proposed to be named promiscuous xenobiotic receptor) is a xenobiotic sensor
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
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
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

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