Determine the necessary mass, volume, or concentration for preparing a solution.
100μg/mL in Hexane ,uncertain3% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads,FedEx DG Service 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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=C(C=CC(=C1)Cl)N=CN(C)C |
|---|---|
| IUPAC Name | N'-(4-chloro-2-methylphenyl)-N,N-dimethylmethanimidamide |
| InChIKey | STUSTWKEFDQFFZ-UHFFFAOYSA-N |
| INCHI | 1S/C10H13ClN2/c1-8-6-9(11)4-5-10(8)12-7-13(2)3/h4-7H,1-3H3 |
| Isomeric SMILES | CC1=C(C=CC(=C1)Cl)N=CN(C)C |
| WGK Germany | 1 |
| RTECS | LQ4375000 |
| UN Number | 2810 |
| Packing Group | III |
| Molecular Weight | 196.68 |
| Beilstein | 9256367 |
| Reaxy-Rn | 2088124 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2088124&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 | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chlorobenzenes |
| Alternative Parents | Toluenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Formamidines Carboxamidines Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Toluene - Chlorobenzene - Aryl halide - Aryl chloride - Formamidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid amidine - Amidine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety. |
| External Descriptors | Not available |
| Refractive Index | 1.558 |
|---|---|
| Boil Point(°C) | 163-165°C |
| Melt Point(°C) | 32°C |
| Molecular Weight | 196.670 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 196.077 Da |
| Monoisotopic Mass | 196.077 Da |
| Topological Polar Surface Area | 15.600 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 180.000 |
| 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. Yangyan Tang, Ximeng Sun, Jiangchuan Ma, Qishe Yan. (2023) Mussel-inspired self-healing hydrogel based on gelatin and oxidized tannic acid for pH-responsive controlled drug release. JOURNAL OF BIOMATERIALS SCIENCE-POLYMER EDITION, [PMID:36803519] [10.1080/09205063.2023.2182577] |
| 2. Qianqian Lu, Liqiang Liu, Jinyan Li, Shanshan Song, Hua Kuang, Chuanlai Xu, Lingling Guo. (2024) Rapid and sensitive quantitation of amitraz in orange, tomato, and eggplant samples using immunochromatographic assay. FOOD CHEMISTRY, [PMID:38452506] [10.1016/j.foodchem.2024.138899] |
| 3. Rong Huang, Zhong Dong, Wanyi Zhang, Zhenggang Xue, Dongmei Deng, Wei Wang, Yuanyuan Li, Haibo He, Liqiang Luo. (2025) Cu−N4 Active Site Sensing Platform for Point-of-Care Colorimetric Detection of Environmental Organophosphorus Pesticide. ANALYTICA CHIMICA ACTA, [PMID:41330687] [10.1016/j.aca.2025.344856] |