Determine the necessary mass, volume, or concentration for preparing a solution.
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analytical standard, 50ug/mL in 2,2,4-Trimethylpentane Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 12 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl |
|---|---|
| IUPAC Name | 1-chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene |
| InChIKey | CVUGPAFCQJIYDT-UHFFFAOYSA-N |
| INCHI | 1S/C14H9Cl5/c15-10-7-5-9(6-8-10)13(14(17,18)19)11-3-1-2-4-12(11)16/h1-8,13H |
| Isomeric SMILES | C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl |
| WGK Germany | 3 |
| RTECS | KH7910000 |
| UN Number | 2811 |
| Molecular Weight | 354.49 |
| Reaxy-Rn | 1984770 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1984770&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Diphenylmethanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylmethanes |
| Alternative Parents | Chlorobenzenes Aryl chlorides Organochlorides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diphenylmethane - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. |
| External Descriptors | diarylmethane |
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| Molecular Weight | 354.500 g/mol |
|---|---|
| XLogP3 | 6.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 2 |
| Exact Mass | 353.912 Da |
| Monoisotopic Mass | 351.915 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 280.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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| 4. Yanying Zhou, Jun Zhu, Jing Yang, Youqi Lv, Yuanfeng Zhu, Wentao Bi, Xiaodi Yang, David Da Yong Chen. (2019) Magnetic nanoparticles speed up mechanochemical solid phase extraction with enhanced enrichment capability for organochlorines in plants. ANALYTICA CHIMICA ACTA, [PMID:31027534] [10.1016/j.aca.2019.03.049] |
| 5. Xuan Ni, Bing Xia, Lumei Wang, Jing Ye, Gaoshang Du, Haiwei Feng, Xiaotong Zhou, Tong Zhang, Wenhao Wang. (2017) Fluorescent aptasensor for 17β-estradiol determination based on gold nanoparticles quenching the fluorescence of Rhodamine B. ANALYTICAL BIOCHEMISTRY, [PMID:28137603] [10.1016/j.ab.2017.01.021] |
| 6. Mingxue Wu, Gang Chen, Ping Liu, Weihong Zhou, Qiong Jia. (2015) Preparation of porous aromatic framework/ionic liquid hybrid composite coated solid-phase microextraction fibers and their application in the determination of organochlorine pesticides combined with GC-ECD detection. ANALYST, 141 (1): (243-250). [PMID:26579991] [10.1039/C5AN01372K] |
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| 10. Mengqiang He, Xiaolei Teng, Junyan Wei, Xiaoyu Li, Zunyao Wang. (2025) Reactive oxygen species (ROS)-mediated photodegradation mechanism of 2,4′-DDT in the irradiated Pearl River suspended particulate matter-water system. ENVIRONMENTAL POLLUTION, [PMID:40912540] [10.1016/j.envpol.2025.127065] |
| 11. Junyan Wei, Wenqian Cao, Hao Chen, Xiaosheng Tang, Zongli Huo, Feng Zhu, Zunyao Wang, Ruijuan Qu. (2025) Heterogeneous phototransformation of o,p′-DDT in four typical Chinese basins: Effects of suspended particulate matter composition and toxicity evaluation of intermediates. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2025.170375] |
| 12. Xiang Shen, Zheshan Duan, Xike Tian, Hongtao Zheng, Dongsheng Wang, Xubo Gao. (2025) The vertical distribution, sources and ecological risks of residual organochlorine pesticides in sediments of the North China's largest freshwater lake. SCIENCE OF THE TOTAL ENVIRONMENT, [PMID:41240894] [10.1016/j.scitotenv.2025.180881] |
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