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

CAS: 79-01-6 Cat. No.: T119718 Formule: C₂HCl₃ Poids moléculaire: 131.39 Beilstein Registry Number: 1736782 Numéro CE: 201-167-4 PubChem CID: 6575

QUALITÉ & PURETÉ 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

Spécifications

Synonymes

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

Spécifications et pureté

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

Conditions de stockage de stockage

Room temperature,Desiccated

Expédié en

FedEx DG Service

Grade

Anhydrous Grade

Pureté

≥99%

Noms et identifiants

Pubchem Sid

508811545

Pubchem Sid Url

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

Sourires canoniques

C(=C(Cl)Cl)Cl

IUPAC Name

1,1,2-trichloroethene

InChIKey

XSTXAVWGXDQKEL-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

C(=C(Cl)Cl)Cl

WGK Allemagne

3

RTECS

KX4550000

PubChem CID

6575

Numéro ONU

1710

Groupe d'emballage

III

Poids moléculaire

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
• 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

Cibles associées (humaines)

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)

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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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Cibles associées (non humaines)

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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Mécanismes d'action

Propriétés chimiques et physiques

• Indice de réfraction: 1.476-1.478
• Point d'ébullition (°C): 87°C
• Point de fusion (°C): -86°C
• Poids moléculaire: 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