Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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100μg/mL in Hexane,Uncertainty 3% 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 9 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC(=C(C(=C1)Cl)C#N)Cl |
|---|---|
| IUPAC Name | 2,6-dichlorobenzonitrile |
| InChIKey | YOYAIZYFCNQIRF-UHFFFAOYSA-N |
| INCHI | 1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H |
| Isomeric SMILES | C1=CC(=C(C(=C1)Cl)C#N)Cl |
| WGK Germany | 2 |
| UN Number | 3082 |
| Packing Group | III |
| Molecular Weight | 172.01 |
| Reaxy-Rn | 1909167 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1909167&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 | Chlorobenzenes |
| Direct Parent | Dichlorobenzenes |
| Alternative Parents | Benzonitriles Aryl chlorides Nitriles Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 1,3-dichlorobenzene - Benzonitrile - Aryl halide - Aryl chloride - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it. |
| External Descriptors | Nitrile herbicides |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Melt Point(°C) | 143-146°C |
|---|---|
| Molecular Weight | 172.010 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 170.964 Da |
| Monoisotopic Mass | 170.964 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 150.000 |
| 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. Haoyun Hu, Wenjuan Feng, Rui Shi, Hong Pan, Cheng Liu, Guihua Ruan, Yipeng Huang. (2023) Magnetic porous carbon material derived from imine-linked covalent organic frameworks for magnetic solid phase extraction of trace chlorine-containing herbicides in soil. JOURNAL OF CHROMATOGRAPHY A, [PMID:37976904] [10.1016/j.chroma.2023.464497] |
| 2. Wen Huang, Tianxiong Ju, Ruipeng Li, Yajun Duan, Yanan Duan, Junji Wei, Lei Zhu. (2022) High-κ and High-Temperature Dipolar Glass Polymers Based on Sulfonylated and Cyanolated Poly(Arylene Ether)s for Capacitive Energy Storage. Advanced Electronic Materials, 9 (1): (2200414). [PMID:] [10.1002/aelm.202200414] |
| 3. Hong Pan, Zushan Gan, Haoyun Hu, Cheng Liu, Yipeng Huang, Guihua Ruan. (2022) Magnetic phenolic resin core-shell structure derived carbon microspheres for ultrafast magnetic solid-phase extraction of triazine herbicides. JOURNAL OF SEPARATION SCIENCE, 45 (14): (2687-2698). [PMID:35579607] [10.1002/jssc.202200283] |
| 4. Qingju Liu, Ping Han, Hui Wang, Wenwen Gong, Xiaoyuan Feng. (2019) Antibody-free colorimetric detection of chlorothalonil in cucumber via the inhibition of an enzyme-triggered reaction. RSC Advances, 9 (18): (9893-9898). [PMID:35520916] [10.1039/C9RA00291J] |
| 5. Fuyou Du, Lingshun Sun, Qiulian Zen, Wei Tan, Zhenfang Cheng, Guihua Ruan, Jianping Li. (2019) A highly sensitive and selective “on-off-on” fluorescent sensor based on nitrogen doped graphene quantum dots for the detection of Hg2+ and paraquat. SENSORS AND ACTUATORS B-CHEMICAL, [PMID:] [10.1016/j.snb.2019.02.109] |
| 6. Shiliang Wei, Kun Jia, Hongguo Shou, Xuefei Zhou, Pan Wang, Xiaobo Liu. (2017) CTAB induced emission from water soluble polyarylene ether nitrile carboxylate and selective sensing of Fe (III) ions. CHEMICAL PHYSICS LETTERS, [PMID:] [10.1016/j.cplett.2017.04.007] |
| 7. Nafeesa Mushtaq, Guofei Chen, Lala Rukh Sidra, Yang Liu, Xingzhong Fang. (2016) Synthesis and crosslinking study of isomeric poly(thioether ether imide)s containing pendant nitrile and terminal phthalonitrile groups. Polymer Chemistry, 7 (48): (7427-7435). [PMID:] [10.1039/C6PY01705C] |
| 8. Jun Hou, Yanbao Zhao, Lei Sun, Xueyan Zou. (2023) Enzyme/GSH/pH-responsive hyaluronic acid grafted porous silica nanocarriers bearing Ag2S QDs for fluorescence imaging and combined therapy. CARBOHYDRATE POLYMERS, [PMID:36737216] [10.1016/j.carbpol.2023.120547] |
| 9. Ziteng Guo, Bo Zhao, Ziyi Wang, Kang Xie, Weicheng Zhang, Zhihua Li. (2026) Incorporation of Multifunctional Polar Groups into Thermoset Polyimide Films for Heat-Resistant Adhesive Applications. ACS Applied Polymer Materials, [PMID:] [10.1021/acsapm.5c04423] |