1,3-Dichlorobenzene - ≥99% , CAS No.541-73-1

CAS: 541-73-1 Cat. No.: D108536 Formula: C₆H₄Cl₂ Peso molecolare: 147.00 Beilstein Registry Number: 956618 Numero EC: 208-792-1

GRADE & PURITY ≥99%

Synonyms

1,3-dichloro-benzene | m-Phenylene dichloride | m-Dichlorobenzene | meta-Dichlorobenzene | m-Dichlorobenzol | Benzene, m-dichloro- | Benzene, 1,3-dichloro- | 2,4-dichlorobenzene | Metadichlorobenzene

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Panoramica

1,3-Dichlorobenzene is a thermodynamically favoured isomer of 1,4-dichlorobenzene. The heat capacity at constant pressure and density of 1,3-dichlorobenzene was measured in the temperature range from (283.15 to 353.15)K.

Application
1,3-Dichlorobenzene was used to study the effect of solvent vapor pressure on the vertical nanowire of C60 molecules. 1,3-Dichlorobenzene, a chlorinated aromatic hydrocarbon, can be detected in environmental samples using an advanced Fourier transform infrared spectroscopy-attenuated total reflectance (FTIR-ATR) sensor. 

Specifications

Sinonimi

1,3-dichloro-benzene | m-Phenylene dichloride | m-Dichlorobenzene | meta-Dichlorobenzene | m-Dichlorobenzol | Benzene, m-dichloro- | Benzene, 1,3-dichloro- | 2,4-dichlorobenzene | Metadichlorobenzene

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature

Spedito in

FedEx DG Service

Purezza

≥99%

Nomi e identificatori

• Pubchem Sid: 488181228
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181228
• Sorrisi canonici: C1=CC(=CC(=C1)Cl)Cl
• IUPAC Name: 1,3-dichlorobenzene
• InChIKey: ZPQOPVIELGIULI-UHFFFAOYSA-N
• INCHI: 1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H
• Isomeri SMILES: C1=CC(=CC(=C1)Cl)Cl
• WGK Germania: 2
• RTECS: CZ4499000
• Numero UN: 2810
• Gruppo di imballaggio: I
• Peso molecolare: 147.00
• Beilstein: 956618
• Reaxy-Rn: 956618
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=956618&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,3-dichlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: 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: a chloroaromatic compound

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

Obiettivi associati (non umani)

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water, soluble in alcohol and ether.
• Sensibilità: Light sensitive
• Indice di rifrazione: 1.5459
• Punto di infiammabilità (°C): 63℃
• Punto di ebollizione (°C): 173°C
• Punto di fusione (°C): －25-－22 °C
• Peso molecolare: 147.000 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 145.969 Da
• Monoisotopic Mass: 145.969 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 64.900
• 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

Riferimenti

1. Jiajie Wang, Yu Wu, Caiyun Zhang, Anqi Geng, Zhuqiu Sun, Jiawei Yang, Jinying Xi, Liping Wang, Bairen Yang.  (2023)  Effect of weak electrical stimulation on m-dichlorobenzene biodegradation in biotrickling filters: Insights from performance and microbial community analysis.  BIORESOURCE TECHNOLOGY,      [PMID:37852508] [10.1016/j.biortech.2023.129881]

2. Ziqi Sun, Meiling Qi.  (2023)  End-modification of poly(ether-carbonate) copolymer by adamantane cages: An effective approach for improving the selectivity of gas chromatographic stationary phases.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:36990034] [10.1016/j.chroma.2023.463940]

3. Jiajie Wang, Bairen Yang, Zhuqiu Sun, Qingqing Shang, Junheng Zhang.  (2023)  Enhanced treatment of m-dichlorobenzene waste gas in biotrickling filters: Performance, mass transfer and microbial community.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2023.109439]

4. Shaoyuan Guo, Xinli Tong, Lingwu Meng, Guobao Yang.  (2023)  A sustainable iron-catalyzed aerobic oxidative C–C and C–O bond cleavage of a lignin model to phenol and methyl benzoate.  Catalysis Science & Technology,  13  (6): (1748-1754).  [PMID:] [10.1039/D2CY01763F]

5. Ziqi Sun, Meiling Qi.  (2022)  High separation performance of carbon dioxide-based poly(ether-carbonate) copolymer for gas chromatographic analyses.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:36166885] [10.1016/j.chroma.2022.463493]

6. Tao Sun, Qiuchen Huang, Wei Zhang, Ruonan Chen, Wei Li, Haipeng Chen, Shaoqiang Hu, Zhiqiang Cai.  (2022)  Performance and selectivity of amphiphilic pillar[5]arene as stationary phase for capillary gas chromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:35390736] [10.1016/j.chroma.2022.463008]

7. Qi Xiang, Wei Cheng, Shucong Wen, Bei Wu, Jie Sun, Shaobin Wang.  (2022)  Electro-peroxone with solid polymer electrolytes: A novel system for degradation of plasticizers in natural effluents.  WATER RESEARCH,      [PMID:35381429] [10.1016/j.watres.2022.118302]

8. Linsha Wei, Junyang Ding, Jiaqi Wu, Lai Li, Qipeng Li, Li-Xiong Shao, Jianmei Lu, Jinjie Qian.  (2022)  An efficient glucose sensor thermally calcined from copper-organic coordination cages.  TALANTA,      [PMID:35093772] [10.1016/j.talanta.2022.123263]

9. Mingrun Du, Jiajun Dong, Ying Zhang, Bertil Sundqvist, Ove Andersson, Bingbing Liu, Mingchao Wang, Zepeng Li, Tong Wei, Qingjun Zhou, Xiong Yang.  (2021)  High Pressure and High Temperature Induced Polymerization of C60 Solvates: The Effect of Intercalated Aromatic Solvents.  Journal of Physical Chemistry C,      [PMID:] [10.1021/acs.jpcc.1c03034]

10. Dandan Lu, Keyang Yin, Ya Zhao, Zelin Gao, Nicolas Godbert, Hongmei Li, Hongguang Li, Jingcheng Hao.  (2021)  Facile synthesis of alkylated carbon dots with blue emission in halogenated benzene solvents.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2020.126129]

11. 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]

12. Xue Xiong, Meiling Qi.  (2020)  A novel column fabrication approach for capillary gas chromatography via a cross-linked organogel network with high stability and inertness.  NEW JOURNAL OF CHEMISTRY,  44  (25): (10621-10627).  [PMID:] [10.1039/D0NJ02185G]

13. Kunlin Liu, Jiuzhou Wang, Ting Yang, Hong Wang, Chengyang Wang, Mingming Chen.  (2020)  An “in situ templating” strategy towards mesoporous carbon for high-rate supercapacitor and high-adsorption capacity on dye macromolecules.  CARBON,      [PMID:] [10.1016/j.carbon.2020.03.050]

14. Jiongxiu Pan, Shuming Li, Fuquan Dang, Zhiqi Zhang, Jing Zhang.  (2018)  Fabrication of a porous β-cyclodextrin-polymer-coated solid-phase microextraction fiber for the simultaneous determination of five contaminants in water using gas chromatography-mass spectrometry.  RSC Advances,  8  (40): (22422-22428).  [PMID:35539744] [10.1039/C8RA04394A]

15. Yueyue Shen, Shilin Zhao, Yue Li, Qian Liu, Chongdi Ma, Hui Mao, Yang Liao, Jun Ma.  (2017)  A feasible approach to dispose of soil washing wastes: adsorptive removal of chlorobenzene compounds in aqueous solutions using humic acid modified with monoolein (HA–M).  RSC Advances,  7  (16): (9662-9668).  [PMID:] [10.1039/C6RA17949E]

16. Xiaohong Yang, Changxia Li, Meiling Qi, Liangti Qu.  (2016)  Graphene-ZIF8 composite material as stationary phase for high-resolution gas chromatographic separations of aliphatic and aromatic isomers.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:27423773] [10.1016/j.chroma.2016.07.029]

17. Zexu Zhang, Chunsan Deng, Xuhao Fan, Minjing Li, Mingduo Zhang, Xinger Wang, Fayu Chen, Shaoxi Shi, Yining Zhou, Leimin Deng, Hui Gao, Wei Xiong.  (2024)  3D Directional Assembly of Liquid Crystal Molecules.  ADVANCED MATERIALS,  36  (31): (2401533).  [PMID:38794830] [10.1002/adma.202401533]

18. Wang Dan, Huang Guifang, Yu Chunming, Wang Yawen, Baek Nawon, Zhu Ruofei.  (2024)  Biocatalytic degradation of environmental endocrine disruptor chlorobenzene via surfactant-optimized laccase-mediator system.  Frontiers in Bioengineering and Biotechnology,      [PMID:39469519] [10.3389/fbioe.2024.1469029]

19. Caiyun Zhang, Jin Qian, Jiajie Wang, Xinyan Zhang, Zhuqiu Sun, Bairen Yang.  (2025)  Effects of electrical stimulation based on directed domestication on m-dichlorobenzene purification performance and microbial composition.  Journal of Water Process Engineering,      [PMID:] [10.1016/j.jwpe.2025.107069]

20. 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]

21. Shengrui Xu, Huimin Li, Li Xiao, Suling Feng, Jing Fan, Janusz Pawliszyn.  (2024)  Monitoring Poly(methyl methacrylate) and Polyvinyl Dichloride Micro/Nanoplastics in Water by Direct Solid-Phase Microextraction Coupled to Gas Chromatography–Mass Spectrometry.  ANALYTICAL CHEMISTRY,      [PMID:38902946] [10.1021/acs.analchem.4c01900]

22. Shaoyuan Guo, Xinli Tong, Jipeng Wang, Hang Tang.  (2024)  Selective aerobic oxidative C–C bond cleavage using a high-entropy oxide-derived multimetallic catalyst.  Reaction Chemistry & Engineering,      [PMID:] [10.1039/D3RE00525A]

23. 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]

24. Qiu-Ping He, Ying-Ying Wang, Peng-Fei Wang, Xiao-Ming Dou.  (2022)  Preparation of modified MFI-type/PDMS composite membranes for the separation of dichlorobenzene isomers via pervaporation.  RSC Advances,  12  (25): (16131-16140).  [PMID:35733675] [10.1039/D2RA01950G]

25. Shihao Su, Guojun Lv, Jialing Shen, Fuxin Wang, Lachgar Oussama, Yan Chen, Shengnan Xu.  (2025)  Pickering Interfacial Tandem Catalysis of Alkenes to 1,2-Diols over Manganese Oxide Catalysts at Room Temperature.  ACS Catalysis,      [PMID:] [10.1021/acscatal.4c06225]

26. 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]

27. Ming-Mai Bao, Ying-Chao Liu, Hao-Nan Xu, Jing Zhang, Yin-Long Guo.  (2025)  Energy-resolved in-source dissociation spectra by tunable pulsed arc plasma ionization for the differentiation of structural isomers.  CHINESE CHEMICAL LETTERS,      [PMID:] [10.1016/j.cclet.2025.112060]

28. Chu Zeng, Hong-Tao Jiang, Ming Xu, Zhi-Yuan Gu.  (2026)  Stabilizing an scu-topology Zr-MOF via linker installation for enhanced gas chromatographic separation.  TALANTA,      [PMID:41619326] [10.1016/j.talanta.2026.129469]