Trichloroethylene - Anhydrous Grade, ≥99%, stabilized with 40 ppm diisopropylamine , CAS No.79-01-6

CAS: 79-01-6 Cat. No.: T119718 Fórmula: C₂HCl₃ Peso molecular: 131.39 Beilstein Registry Number: 1736782 Número CE: 201-167-4 PubChem CID: 6575

GRAU & PUREZA Anhydrous Grade, ≥99%, stabilized with 40 ppm 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

Room temperature,Desiccated

Shipped In

FedEx DG Service

Especificações

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

Especificações e pureza

Anhydrous Grade, ≥99%, stabilized with 40 ppm diisopropylamine

Condições de armazenamento de armazenamento

Room temperature,Desiccated

Enviado em

FedEx DG Service

Grau

Anhydrous Grade

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

508811545

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508811545

Sorrisos canónicos

C(=C(Cl)Cl)Cl

IUPAC Name

1,1,2-trichloroethene

InChIKey

XSTXAVWGXDQKEL-UHFFFAOYSA-N

INCHI

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

SMILES isoméricas

C(=C(Cl)Cl)Cl

WGK Alemanha

3

RTECS

KX4550000

PubChem CID

6575

Número UN

1710

Grupo de embalagem

III

Peso molecular

131.39

Beilstein

1736782

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: 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
• Descrição: 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

Alvos associados (humanos)

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

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

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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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

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

CYP2E1 Tchem Cytochrome P450 2E1 (2174 Activities)

Discover Target: CYP2E1

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

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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Alvos associados (não 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

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

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

Discover Target: Nfe2l2

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

Mecanismos de ação

Propriedades químicas e físicas

• Índice de refração: 1.476-1.478
• Ponto de ebulição (°C): 87°C
• Ponto de fusão (°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