36555
1,3,5-Trichlorobenzene
PESTANAL®, analytical standard
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About This Item
Empirical Formula (Hill Notation):
C6H3Cl3
CAS Number:
Molecular Weight:
181.45
Beilstein:
1635233
EC Number:
MDL number:
UNSPSC Code:
41116107
PubChem Substance ID:
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
SMILES string
Clc1cc(Cl)cc(Cl)c1
InChI
1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChI key
XKEFYDZQGKAQCN-UHFFFAOYSA-N
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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
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral - Aquatic Chronic 2
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
224.6 °F - closed cup
Flash Point(C)
107 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
危险化学品
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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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