Tetrachloroethylene - for infrared oil content analyzer, ≥99.8% , CAS No.127-18-4

CAS: 127-18-4 Cat. No.: T298959 Formula: C₂Cl₄ Molecular Weight: 165.83 Beilstein Registry Number: 1361721 EC Number: 204-825-9 PubChem CID: 31373

GRADE & PURITY for infrared oil content analyzer, ≥99.8%

Synonyms

Nema, veterinary | Perc | Perchloorethyleen, per | NCI-C04580 | Tetraleno | Perchloorethyleen, per(DUTCH) | Tetrachloroethylene, UV/IR-Grade | BIDD:ER0346 | Tetracloroetene(ITALIAN) | Perclene D | Carbon dichloride | Nema

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Overview

Tetrachloroethylene may be used as a film-forming electrolyte additive in the manufacture of lithium ion batteries and an extraction solvent in the determination of oil and grease in water by FT-IR.

Specifications

Synonyms

Nema, veterinary | Perc | Perchloorethyleen, per | NCI-C04580 | Tetraleno | Perchloorethyleen, per(DUTCH) | Tetrachloroethylene, UV/IR-Grade | BIDD:ER0346 | Tetracloroetene(ITALIAN) | Perclene D | Carbon dichloride | Nema

Specifications & Purity

for infrared oil content analyzer, ≥99.8%

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Grade

for infrared oil content analyzer

Purity

≥99.8%

Names and Identifiers

• Pubchem Sid: 504753466
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753466
• 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

• 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