p-Chlorotoluene Standard - 2000ug/ml in Purge and Trap Methanol , CAS No.106-43-4

CAS: 106-43-4 Cat. No.: C128161 Molecular Weight: 126.59 Beilstein Registry Number: 1903635 EC Number: 203-397-0

GRADE & PURITY 2000ug/ml in Purge and Trap Methanol

Synonyms

4-Chlorotoluene|106-43-4|1-Chloro-4-methylbenzene|P-CHLOROTOLUENE|Benzene, 1-chloro-4-methyl-|p-Tolyl chloride|Toluene, p-chloro-|1-Methyl-4-chlorobenzene|4-Chloro-1-methylbenzene|para-Chlorotoluene|4-methylchlorobenzene|NSC 404114|4-CHLOROTOLUENE-D7|1-ch

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Overview

Volatile Organic Compounds (VOCs) Single Component Standards US EPA Methods:502.2,524.2,8021,8021A,8021B,624,8240B,8260B

Specifications

Synonyms

4-Chlorotoluene | 106-43-4 | 1-Chloro-4-methylbenzene | P-CHLOROTOLUENE | Benzene, 1-chloro-4-methyl- | p-Tolyl chloride | Toluene, p-chloro- | 1-Methyl-4-chlorobenzene | 4-Chloro-1-methylbenzene | para-Chlorotoluene | 4-methylchlorobenzene | NSC 404114 | 4-CHLOROTOLUENE-D7 | 1-ch

Specifications & Purity

2000ug/ml in Purge and Trap Methanol

Storage

Store at 2-8°C

Shipped In

Wet ice, FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes

• 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• 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

References

1. 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]

2. 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]

3. 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]

4. 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]

5. 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]

6. 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]

7. 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]

8. 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]

9. 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]

10. 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]

11. 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]

12. 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]

13. 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]

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]