Determine the necessary mass, volume, or concentration for preparing a solution.
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analytical standard, 48.9μg/ml, in isooctane 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 16 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl |
|---|---|
| IUPAC Name | 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene |
| InChIKey | UCNVFOCBFJOQAL-UHFFFAOYSA-N |
| INCHI | 1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H |
| Isomeric SMILES | C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl |
| UN Number | 3077 |
| Packing Group | III |
| Molecular Weight | 318.03 |
| Reaxy-Rn | 1913355 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1913355&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 Ketene acetals Vinyl chlorides Chloroalkenes Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diphenylmethane - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Ketene acetal or derivatives - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - 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 | a small molecule |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jan 19, 2023 | D117409 |
| Sensitivity | Light sensitive. |
|---|---|
| Boil Point(°C) | 316.5°C |
| Melt Point(°C) | 88-90°C |
| Molecular Weight | 318.000 g/mol |
| XLogP3 | 7.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 2 |
| Exact Mass | 317.935 Da |
| Monoisotopic Mass | 315.938 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 269.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| 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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| 7. Zhirun Xie, Chengxiang Wang, Longwei Yin. (2017) Nickel-assisted iron oxide catalysts for the enhanced degradation of refractory DDT in heterogeneous Fenton-like system. JOURNAL OF CATALYSIS, [PMID:] [10.1016/j.jcat.2017.03.024] |
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| 11. 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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| 14. Liwu Gan, Xiaoying Feng, Suxin Zhou, Jinglin Chen, Juan Zheng, Gangfeng Ouyang. (2025) Core-shell MOF@COFs with hierarchical pores for synergistic extraction of Cl/Br-substituted organic pollutants. TALANTA, [PMID:40199122] [10.1016/j.talanta.2025.128091] |
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| 16. 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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