Merck
CN
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文件

安全信息

36555

Supelco

1,3,5-三氯苯

PESTANAL®, analytical standard

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经验公式（希尔记法）:
C6H3Cl3
CAS号:
108-70-3
分子量:
181.45
Beilstein:
1635233
EC 号:
203-608-6
MDL编号:
MFCD00000585
PubChem化学物质编号:
329755395

等级

analytical standard

产品线

PESTANAL®

保质期

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

格式

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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相关类别

应用

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

法律信息

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

象形图

Exclamation mark
GHS07

警示用语：

Warning

危险分类

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

靶器官

Respiratory system

储存分类代码

11 - Combustible Solids

WGK

WGK 3

闪点(°F)

224.6 °F - closed cup

闪点(°C)

107 °C - closed cup

个人防护装备

dust mask type N95 (US), Eyeshields, Gloves

法规信息

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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