1000ug/ml in methanol for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Kanonisches Lächeln | COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl |
|---|---|
| IUPAC Name | 1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene |
| InChIKey | IAKOZHOLGAGEJT-UHFFFAOYSA-N |
| INCHI | 1S/C16H15Cl3O2/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12/h3-10,15H,1-2H3 |
| Isomere SMILES | COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl |
| WGK Deutschland | 3 |
| RTECS | KJ3675000 |
| UN-Nummer | 3077 |
| Verpackungsgruppe | III |
| Molekulargewicht | 345.65 |
| Beilstein | 2057367 |
| Reaxy-Rn | 2057367 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2057367&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 |
| Klasse | Benzene and substituted derivatives |
| Subclass | Diphenylmethanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylmethanes |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Organochlorides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diphenylmethane - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound |
| Beschreibung | 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 | Organochlorine pesticides - Organochlorine insecticides |
| Schmelzpunkt (°C) | 86-88°C |
|---|---|
| Molekulargewicht | 345.600 g/mol |
| XLogP3 | 5.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 344.014 Da |
| Monoisotopic Mass | 344.014 Da |
| Topological Polar Surface Area | 18.500 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 279.000 |
| 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 |
| 1. 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] |
| 2. Xiangxu Du, Lei Wang, Yuxiang Yang, Zihao Ma. (2026) Spherical Mesoporous Silica Synthesis for Catalytic Applications: pH-Regulated Mesostructural Evolution Mediated by Ostwald Ripening. Catalysts, 16 (8): (679). [PMID:] [10.3390/catal16080679] |
