Tetrachloroethylene - HPLC grade, ≥99% , CAS No.127-18-4

CAS: 127-18-4 Cat. No.: T103371 Formula: C₂Cl₄ Molecular Weight: 165.83 Beilstein Registry Number: 1361721 EC Number: 204-825-9 PubChem CID: 31373

GRADE & PURITY HPLC grade, ≥99%

Synonyms

Nema, veterinary | Perc | Perchloorethyleen, per | NCI-C04580 | Tetraleno | Perchloorethyleen, per(DUTCH) | Tetrachloroethylene, UV/IR-Grade | BIDD:ER0346 | Perchlorethylene, per [French] | Tetracloroetene(ITALIAN) | Ethene, tetrachloro- | Perclene D | Ca

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

Nema, veterinary | Perc | Perchloorethyleen, per | NCI-C04580 | Tetraleno | Perchloorethyleen, per(DUTCH) | Tetrachloroethylene, UV/IR-Grade | BIDD:ER0346 | Perchlorethylene, per [French] | Tetracloroetene(ITALIAN) | Ethene, tetrachloro- | Perclene D | Ca

Specifications & Purity

HPLC grade, ≥99%

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Grade

HPLC grade

Purity

≥99%

Names and Identifiers

Pubchem Sid

528771080

Canonical Smiles

C(=C(Cl)Cl)(Cl)Cl

IUPAC Name

1,1,2,2-tetrachloroethene

InChIKey

CYTYCFOTNPOANT-UHFFFAOYSA-N

INCHI

1S/C2Cl4/c3-1(4)2(5)6

Isomeric SMILES

C(=C(Cl)Cl)(Cl)Cl

WGK Germany

3

PubChem CID

31373

UN Number

1897

Packing Group

III

Molecular Weight

165.83

Beilstein

1361721

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Vinyl halides
      • Subclass Vinyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Vinyl halides
• Subclass: Vinyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Vinyl chlorides
• Alternative Parents: Chloroalkenes Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Chloroalkene - Haloalkene - Vinyl chloride - Hydrocarbon derivative - Organochloride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as vinyl chlorides. These are vinyl halides in which a chlorine atom is bonded to an sp2-hybridised carbon 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)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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)

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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.
• Refractive Index: n20/D 1.505 (lit.)
• Boil Point(°C): 121°C
• Melt Point(°C): -22°C
• Molecular Weight: 165.800 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 165.872 Da
• Monoisotopic Mass: 163.875 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 55.600
• 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