1，1，2，2-tetrachloroethane - AR, ≥98% , CAS No.79-34-5

CAS: 79-34-5 Cat. No.: C102978 Molecular Weight: 167.85 Beilstein Registry Number: 969206 EC Number: 201-197-8

GRADE & PURITY AR, ≥98%

Synonyms

Tetrachlorethane | Tetrachlorure d'acetylene | 1,1,2,2-Tetrachloraethan | Acetylene tetrachloride | Ethane, 1,1,2,2-tetrachloro- | s-Tetrachloroethane | Westron | 1,1,2,2-Tetrachlorethane | 1,1,2,2-TETRACHLOROETHANE | Bonoform | 1,1-Dichloro-2,2-dichloroe

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Overview

1,1,2,2-Tetrachloroethane (TeCA) is a chlorine containing hydrocarbon solvent useful for dissolution of cellulose acetate, fat, waxes, greases, rubber and sulfur. It is widely used in the manufacturing of polymers. Among the chlorinated hydrocarbons, it has the highest solvent power.

1,1,2,2-Tetrachloroethane is used in the preparation of organic chemicals, as a solvent for fats, oils, waxes, resins, cellulose acetate and in certain types of Friedel-Crafts reactions. It is also used to make paints, varnishes, rust removers and other chlorinated hydrocarbons with two carbon atoms. It is utilized in the determination of theobromine in cacao. It is also used as an immersion fluid in crystallography. Further, it is used as an alcohol denaturant, fumigant, dry cleaning agent, in photographic film. In addition to this, it is used as an intermediate in the industrial production of trichloroethylene, tetrachloroethylene and1,2-dichloroethylene.

Specifications

Synonyms

Tetrachlorethane | Tetrachlorure d'acetylene | 1, 1, 2, 2-Tetrachloraethan | Acetylene tetrachloride | Ethane, 1, 1, 2, 2-tetrachloro- | s-Tetrachloroethane | Westron | 1, 1, 2, 2-Tetrachlorethane | 1, 1, 2, 2-TETRACHLOROETHANE | Bonoform | 1, 1-Dichloro-2, 2-dichloroe

Specifications & Purity

AR, ≥98%

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

AR

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488180106
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180106
• Canonical Smiles: C(C(Cl)Cl)(Cl)Cl
• IUPAC Name: 1,1,2,2-tetrachloroethane
• InChIKey: QPFMBZIOSGYJDE-UHFFFAOYSA-N
• INCHI: 1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H
• Isomeric SMILES: C(C(Cl)Cl)(Cl)Cl
• WGK Germany: 3
• RTECS: KI8575000
• UN Number: 1702
• Packing Group: II
• Molecular Weight: 167.85
• Beilstein: 969206
• Reaxy-Rn: 969206
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969206&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine atom.
• 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)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

Associated Targets(non-human)

Aspergillus nidulans (364 Activities)

Explore this target

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

Mus musculus (284745 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Miscible with water, methanol, ethanol, chloroform and acetone.
• Sensitivity: Light sensitive.
• Refractive Index: 1.49419
• Boil Point(°C): 146.5°C
• Melt Point(°C): -44°C
• Molecular Weight: 167.800 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 167.888 Da
• Monoisotopic Mass: 165.891 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 26.500
• 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

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