| Canonical Smiles | CC1=CC=C(C=C1)CCl |
|---|---|
| IUPAC Name | 1-(chloromethyl)-4-methylbenzene |
| InChIKey | DMHZDOTYAVHSEH-UHFFFAOYSA-N |
| INCHI | 1S/C8H9Cl/c1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3 |
| Isomeric SMILES | CC1=CC=C(C=C1)CCl |
| WGK Germany | 1 |
| RTECS | ZE4030000 |
| UN Number | 3265 |
| Molecular Weight | 140.61 |
| Beilstein | 507387 |
| Reaxy-Rn | 507387 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507387&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 | Benzyl halides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyl chlorides |
| Alternative Parents | Toluenes Organochlorides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyl chloride - Toluene - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyl chlorides. These are organic compounds containing a benzene skeleton substituted with a chloromethyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G1710044 | Certificate of Analysis | Feb 08, 2025 | A164460 |
| G2404132 | Certificate of Analysis | Apr 26, 2024 | A164460 |
| G2404145 | Certificate of Analysis | Apr 26, 2024 | A164460 |
| G2301023 | Certificate of Analysis | Jul 22, 2023 | A164460 |
| G2301029 | Certificate of Analysis | Jul 22, 2023 | A164460 |
| E2319217 | Certificate of Analysis | May 23, 2023 | A164460 |
| I2217030 | Certificate of Analysis | Aug 05, 2022 | A164460 |
| I2220069 | Certificate of Analysis | Jul 29, 2022 | A164460 |
| I2220072 | Certificate of Analysis | Jul 29, 2022 | A164460 |
| I2220073 | Certificate of Analysis | Jul 29, 2022 | A164460 |
| Sensitivity | Moisture sensitive |
|---|---|
| Refractive Index | 1.533 |
| Flash Point(°F) | 167°F |
| Flash Point(°C) | 75℃ |
| Boil Point(°C) | 200°C |
| Melt Point(°C) | 4°C |
| Molecular Weight | 140.610 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| Exact Mass | 140.039 Da |
| Monoisotopic Mass | 140.039 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 72.600 |
| 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. Jialei Mao, Yinzhu Bian, Qun Zhang, Linghui Kong, Xiao Shi, Jing Hu, Mi Yang, Li Li, Hanqing Qian, Baorui Liu, Xiaoping Qian. (2021) Antitumor activity of iRGD-modified red blood cell membrane nanoparticles loaded with Juglone and Oxaliplatin against colorectal cancer. JOURNAL OF BIOMATERIALS APPLICATIONS, [PMID:34802305] [10.1177/08853282211052386] |
| 2. Chen Shuai, Wu Xin, Yu Zengli. (2021) Juglone Suppresses Inflammation and Oxidative Stress in Colitis Mice. Frontiers in Immunology, [PMID:34421890] [10.3389/fimmu.2021.674341] |
| 3. Chunmei Gao, Meishao Hu, Mingliang Fang, Jiale Chen, Lei Wang. (2020) Alkali-doped hyperbranched cross-linked polybenzimidazoles containing benzyltrimethyl ammoniums with improved ionic conductivity as alkaline direct methanol fuel cell membranes. INTERNATIONAL JOURNAL OF ENERGY RESEARCH, 44 (6): (4677-4686). [PMID:] [10.1002/er.5250] |
| 4. Meishao Hu, Tianyun Li, Sivasubramaniyan Neelakandan, Lei Wang, Yongming Chen. (2019) Cross-linked polybenzimidazoles containing hyperbranched cross-linkers and quaternary ammoniums as high-temperature proton exchange membranes: Enhanced stability and conductivity. JOURNAL OF MEMBRANE SCIENCE, [PMID:] [10.1016/j.memsci.2019.117435] |
| 5. Qiong Li, Songqi Ma, Sheng Wang, Wangchao Yuan, Xiwei Xu, Binbo Wang, Kaifeng Huang, Jin Zhu. (2019) Facile catalyst-free synthesis, exchanging, and hydrolysis of an acetal motif for dynamic covalent networks. Journal of Materials Chemistry A, 7 (30): (18039-18049). [PMID:] [10.1039/C9TA04073K] |
| 6. Bingchuan Zhang, Zhiqiang Sun, Min Lv, Hui Xu. (2018) Semisynthesis of Matrinic Acid/Alcohol/Ester Derivatives, Their Pesticidal Activities, and Investigation of Mechanisms of Action against Tetranychus cinnabarinus. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:30452245] [10.1021/acs.jafc.8b04965] |
| 7. Jian-Xiong Li, Lei Liu, An-Hua Liu. (2014) Study on synthesis and photoactivity of N-substituted diazabicyclononane derivatives with different substituents. INTERNATIONAL JOURNAL OF ADHESION AND ADHESIVES, [PMID:] [10.1016/j.ijadhadh.2014.12.002] |
| 8. Yingxue Jin, Jiajing Chen, Wen Xie, Jinni Zhang, Jingjing Yan, Canrong Chen, Jiashi Lin, Zongwei Cai, Zian Lin. (2025) Gold-Modified Covalent Organic Frameworks-Assisted Laser Desorption/Ionization Mass Spectrometry for Analysis of Metabolites Induced by Triclosan Exposure. ACS Applied Materials & Interfaces, [PMID:39818740] [10.1021/acsami.4c16044] |
