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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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CP, ≥97% CP for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 15 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=CC=C(C=C1)Cl |
|---|---|
| IUPAC Name | 1-chloro-4-methylbenzene |
| InChIKey | NPDACUSDTOMAMK-UHFFFAOYSA-N |
| INCHI | 1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3 |
| Isomeric SMILES | CC1=CC=C(C=C1)Cl |
| WGK Germany | 1 |
| UN Number | 2238 |
| Packing Group | III |
| Molecular Weight | 126.59 |
| Beilstein | 1903635 |
| Reaxy-Rn | 1903635 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1903635&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 Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Toluene - Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - 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 | a small molecule |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 | Mar 13, 2026 | C104629 | |
| Certificate of Analysis | Jan 05, 2026 | C104629 | |
| Certificate of Analysis | Sep 08, 2025 | C104629 | |
| Certificate of Analysis | Sep 08, 2025 | C104629 | |
| Certificate of Analysis | Nov 11, 2022 | C104629 | |
| Certificate of Analysis | Dec 07, 2021 | C104629 | |
| Certificate of Analysis | Dec 07, 2021 | C104629 | |
| Certificate of Analysis | Dec 07, 2021 | C104629 |
| Solubility | Insoluble in water, soluble in ethanol, chloroform, acetic acid, and miscible in ether. |
|---|---|
| Refractive Index | 1.52 |
| Flash Point(°F) | 11 °C |
| Flash Point(°C) | 11°C |
| Boil Point(°C) | 162°C |
| Melt Point(°C) | 6-8 °C |
| Molecular Weight | 126.580 g/mol |
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 126.024 Da |
| Monoisotopic Mass | 126.024 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 62.800 |
| 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. Xiaoying Feng, Yixin Kuang, Suxin Zhou, Juan Zheng, Gangfeng Ouyang. (2023) New insights into the effects of isomeric chlorine substitution on microstructures and enrichment capacities of functionalized polystyrene nanospheres. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2023.146887] |
| 2. Yong Wei, Chunbiao Liu, Yonghui Zhang, Chen Shi, Yixiong Tang, Chunlan Liu, Yudong Su, Chen Wang, Yu Zhang, Zhihai Liu. (2023) All-Fiber SPR Microfluidic Chip for Arctigenin Detection. IEEE SENSORS JOURNAL, 23 (12): (12838-12844). [PMID:] [10.1109/JSEN.2023.3269032] |
| 3. Lei Yuan, Cai Xu, Shaoyong Zhang, Mincheng Yu, Xiaozhong Wang, Yingqi Chen, Liyan Dai. (2023) Role of oxygen vacancy in spinel (FeCoNiCrMn)3O4 high entropy oxides prepared via two different methods for the selective CH bond oxidation of p-chlorotoluene. JOURNAL OF COLLOID AND INTERFACE SCIENCE, [PMID:36867932] [10.1016/j.jcis.2023.02.128] |
| 4. Lijing Zhang, Jiaqi Han, Yuchao Wang, Wenbo Yang, Shengyang Tao. (2022) Pd/Mg(OH)2/MgO–ZrO2 Nanocomposite Systems for Highly Efficient Suzuki–Miyaura Coupling Reaction at Room Temperature: Implications for Low-Carbon Green Organic Synthesis. ACS Applied Nano Materials, [PMID:] [10.1021/acsanm.2c01179] |
| 5. Jie Deng, Wanying Lei, Junwei Fu, Huile Jin, Quanlong Xu, Shun Wang. (2022) Enhanced Selective Photooxidation of Toluene to Benzaldehyde over Co3O4-Modified BiOBr/AgBr S-Scheme Heterojunction. Solar RRL, 6 (8): (2200279). [PMID:] [10.1002/solr.202200279] |
| 6. Jie Yang, Liyuan Huai, Jiang Gan, Hualei Hu, Shenghu Zhou, Jian Zhang. (2021) Self-Etherification of 5-Hydroxymethylfurfural to 5,5′(Oxy-bis(methylene))bis-2-furfural over Hierarchically Micromesoporous ZSM-5: The Role of Brønsted- and Lewis-Acid Sites. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, [PMID:] [10.1021/acs.iecr.1c03337] |
| 7. Xue Li, Yuan-Yuan Cui, Cheng-Xiong Yang. (2020) Covalent coupling fabrication of microporous organic network bonded capillary columns for gas chromatographic separation. TALANTA, [PMID:33379116] [10.1016/j.talanta.2020.121914] |
| 8. Ke Bei, Chuanyong Zhang, Junliang Wang, Kai Li, Jinghui Lyu, Jia Zhao, Jie Chen, I-Ming Chou, Zhiyan Pan. (2016) Solubility and dissolution mechanism of 4-chlorotoluene in subcritical water investigated in a fused silica capillary reactor by in situ Raman spectroscopy. FLUID PHASE EQUILIBRIA, [PMID:] [10.1016/j.fluid.2016.05.018] |
| 9. Xi Zhang, Xiaohuan Zang, Guijiang Zhang, Chun Wang, Zhi Wang. (2015) Application of mesoporous carbon as a solid-phase microextraction fiber coating for the extraction of volatile aromatic compounds. JOURNAL OF SEPARATION SCIENCE, 38 (16): (2880-2886). [PMID:26041569] [10.1002/jssc.201500304] |
| 10. Yang Liu, Jian Li, Jiawei Liu, Changwei Tang, Quan Bai. (2024) Fabrication of hierarchically porous University of Oslo-66@silica shell-core stationary phase by phosphoric acid etching strategy for enhanced separation performance in liquid chromatography. MICROCHEMICAL JOURNAL, [PMID:] [10.1016/j.microc.2024.111110] |
| 11. Shandi Zhong, Cai Xu, Quanfu Long, Hang Zhou, Jianhai Yang, Jia Guo, Xiaozhong Wang, Liyan Dai. (2024) Highly catalytic performance for the selective C–H bond oxidation of p-chlorotoluene over Co, Cr co-doped OMS-2 catalyst. CHEMICAL ENGINEERING SCIENCE, [PMID:] [10.1016/j.ces.2024.120789] |
| 12. Zeqi Wu, Feng Niu, Wenhao Yao, Siyuan Gao, Da Chen, Yuexiang Huang. (2024) Photocatalytic Selective Oxidation of Toluene over Chlorine-Coordinated MIL-101(Fe) under Ambient Conditions. LANGMUIR, [PMID:39312413] [10.1021/acs.langmuir.4c02431] |
| 13. Wen-Chao Deng, Hai-Long Qian, Cheng Yang, Shu-Ting Xu, Xiu-Ping Yan. (2023) General Two-Step Method for the Fabrication of Covalent-Organic Framework-Bound Open-Tubular Capillary Columns for High-Resolution Gas Chromatography Separation of Isomers. ACS Applied Materials & Interfaces, [PMID:37963803] [10.1021/acsami.3c13853] |
| 14. Jinhua Xu, Minghui Tang, Jinyu Zhang, Wenmin Zhang, Shiye Xie, Lan Zhang. (2025) Green and Controlled Synthesis of Copper-Based Tryptophan Flower-like Chiral Metal-Organic Framework for Enantioselective Recognition and Volatile Organic Compound Separation. JOURNAL OF CHROMATOGRAPHY A, [PMID:40339186] [10.1016/j.chroma.2025.466020] |
| 15. Hong-Mei Fu, Xi-Peng Zhang, Shi-Chao Qi, Ding-Hua Liu. (2025) Efficient liquid-phase adsorptive separation between p- and m-Chlorotoluene by a metal-organic framework Mn-dhbq. SEPARATION AND PURIFICATION TECHNOLOGY, [PMID:] [10.1016/j.seppur.2025.135978] |
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