Trichloroethylene - ≥99.5%(GC), stabilized with 40ppm Diisopropylamine , CAS No.79-01-6

CAS: 79-01-6 Cat. No.: T100719 Fórmula: C₂HCl₃ Peso molecular: 131.39 Beilstein Registry Number: 1736782 Número EC: 201-167-4 PubChem CID: 6575

GRADE & PURITY ≥99.5%(GC), stabilized with 40ppm Diisopropylamine

Synonyms

1,1,2-Trichloroethene | Triasol | Triol | Nialk | Trielina [Italian] | Ethinyl trichloride | TRICHLOROETHYLENE | TRICHLOROETHYLENE (13C2) | Trilene TE-141 | 1-Chloro-2,2-dichloroethylene | Germalgene | Trichlooretheen | Trichloride, Ethinyl | 1,2,2-Trichl

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

FedEx DG Service

Descripción general

Trichloroethylene (TCE) is a chlorinated ethylene compound commonly used as a dry cleaning and degreasing solvent.Without stabilizers, TCE is unstable and degrades easily in the presence of moisture air, light and heat, it can be minimized by adding diisopropylamine as a stabilizer. Various methods have been reported for its synthesis. One of them is by chlorinating ethylene dichloride. Since TCE is one of the most common industrial solvent it has led it to be a major contaminant found in the ground water. It has adverse effect on human health due to its potential toxicity and carcinogenicity.Its toxicity and carcinogenicity has been studied.

Specifications

Sinónimos

1,1,2-Trichloroethene | Triasol | Triol | Nialk | Trielina [Italian] | Ethinyl trichloride | TRICHLOROETHYLENE | TRICHLOROETHYLENE (13C2) | Trilene TE-141 | 1-Chloro-2,2-dichloroethylene | Germalgene | Trichlooretheen | Trichloride, Ethinyl | 1,2,2-Trichl

Especificaciones y pureza

≥99.5%(GC), stabilized with 40ppm Diisopropylamine

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature,Argon charged,Desiccated

Enviado en

FedEx DG Service

Pureza

≥99.5%(GC)

Nombres e identificadores

Pubchem Sid

508811544

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508811544

Sonrisas canónicas

C(=C(Cl)Cl)Cl

IUPAC Name

1,1,2-trichloroethene

InChIKey

XSTXAVWGXDQKEL-UHFFFAOYSA-N

INCHI

1S/C2HCl3/c3-1-2(4)5/h1H

Isómeros SMILES

C(=C(Cl)Cl)Cl

WGK Alemania

3

RTECS

KX4550000

PubChem CID

6575

Número ONU

1710

Grupo de embalaje

III

Peso molecular

131.39

Beilstein

1736782

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

Discover Target: THRB

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RXRA Tclin Retinoid X receptor alpha (3637 Activities)

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CXCL8 Tchem Interleukin-8 (642 Activities)

Discover Target: CXCL8

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CASP1 Tchem Caspase-1 (6235 Activities)

Discover Target: CASP1

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CYP2E1 Tchem Cytochrome P450 2E1 (2174 Activities)

Discover Target: CYP2E1

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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Objetivos asociados (no humanos)

Aspergillus nidulans (364 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Discover Target: Nfe2l2

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Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Índice de refracción: 1.476-1.478
• Punto de ebullición (°C): 87°C
• Punto de fusión (°C): -86°C
• Peso molecular: 131.380 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 129.914 Da
• Monoisotopic Mass: 129.914 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 42.900
• 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