1,2,3,4-Tetrachlorobenzene - Standard for GC , CAS No.634-66-2

CAS: 634-66-2 Cat. No.: T107543 Molecular Weight: 215.89 Beilstein Registry Number: 1910025 EC Number: 211-214-0

GRADE & PURITY Standard for GC

Synonyms

1,2,3,4-TETRACHLOROBENZENE|634-66-2|Benzene, 1,2,3,4-tetrachloro-|Tetrachlorobenzene|1,2,3,4-benzene tetrachloride|MH0UY3V1KE|1,2,3,4-Tetrachlorbenzol|1,2,3,4-Tetrachloro-Benzene|DTXSID6026088|CHEBI:18855|1,3-Cyclohexadien-5-yne, 1,2,3,4-tetrachloro-|NSC-

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

1, 2, 3, 4-TETRACHLOROBENZENE | 634-66-2 | Benzene, 1, 2, 3, 4-tetrachloro- | Tetrachlorobenzene | 1, 2, 3, 4-benzene tetrachloride | MH0UY3V1KE | 1, 2, 3, 4-Tetrachlorbenzol | 1, 2, 3, 4-Tetrachloro-Benzene | DTXSID6026088 | CHEBI:18855 | 1, 3-Cyclohexadien-5-yne, 1, 2, 3, 4-tetrachloro- | NSC-

Specifications & Purity

Standard for GC

Storage

Protected from light, Room temperature

Shipped In

FedEx DG Service

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

Grade

Standard for GC

Names and Identifiers

• Canonical Smiles: C1=CC(=C(C(=C1Cl)Cl)Cl)Cl
• IUPAC Name: 1,2,3,4-tetrachlorobenzene
• InChIKey: GBDZXPJXOMHESU-UHFFFAOYSA-N
• INCHI: 1S/C6H2Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
• Isomeric SMILES: C1=CC(=C(C(=C1Cl)Cl)Cl)Cl
• WGK Germany: 3
• RTECS: DB9440000
• UN Number: 3077
• Packing Group: III
• Molecular Weight: 215.89
• Beilstein: 1910025

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: Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 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: tetrachlorobenzene

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)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive.
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 110℃
• Boil Point(°C): 254°C
• Melt Point(°C): 44-48°C
• Molecular Weight: 215.900 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 215.888 Da
• Monoisotopic Mass: 213.891 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 102.000
• 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

References

1. Boying Yue, Xiyue Wang, Lili Lian, Yanyan Wang, Wenxiu Gao, Hao Zhang, Jinfeng Zhao, Dawei Lou.  (2023)  A fiber-packed needle-type extraction device with ionic liquid-based molecularly imprinted polymer as coating for extraction of chlorobenzenes in water samples.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2023.108592]

2. 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]

3. Lin-Lin Zhang, Zeng Chen, Li Li, Wuying Yang, Dan Wang, Yanping Hong, Kaijie Tang, Jiaxin Hong, Lu-Ying Duan, Limin Lu.  (2025)  A bifunctional miniaturized sensor based on dual-luminescent europium metal-organic framework for sensitive ratiometric and visual detection of Sn4+ and amitraz.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:41401489] [10.1016/j.saa.2025.127339]