Hexachloroethane - Standard for GC, ≥99.5%(GC) , CAS No.67-72-1

CAS: 67-72-1 Cat. No.: H110386 Summenformel: C₂Cl₆ Molekulargewicht: 236.74 Beilstein Registry Number: 1740341 EG-Nummer: 200-666-4

QUALITÄT & REINHEIT Standard for GC, ≥99.5%(GC)

Synonyms

1,1,1,2,2,2-Hexachloroethane | 1,1,1,2,2,2-Hexachloro-ethane | InChI=1/C2Cl6/c3-1(4,5)2(6,7) | STL199166 | AKOS009158985 | Distopin | HEXACHLOROETHANE | 1,1,1,2,2,2-hexakis(chloranyl)ethane | EPA Pesticide Chemical Code 045201 | Ethane hexachloride | Falk

Storage

Room temperature

Shipped In

FedEx DG Service

Spezifikationen

Synonyme

1,1,1,2,2,2-Hexachloroethane | 1,1,1,2,2,2-Hexachloro-ethane | InChI=1/C2Cl6/c3-1(4,5)2(6,7) | STL199166 | AKOS009158985 | Distopin | HEXACHLOROETHANE | 1,1,1,2,2,2-hexakis(chloranyl)ethane | EPA Pesticide Chemical Code 045201 | Ethane hexachloride | Falk

Spezifikationen & Reinheit

Standard for GC, ≥99.5%(GC)

Storage

Room temperature

Verschickt in

FedEx DG Service

Note

Standard for GC

Reinheit

≥99.5%(GC)

Namen und Kennungen

Pubchem Sid

528770095

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528770095

Kanonisches Lächeln

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

IUPAC Name

1,1,1,2,2,2-hexachloroethane

InChIKey

VHHHONWQHHHLTI-UHFFFAOYSA-N

INCHI

1S/C2Cl6/c3-1(4,5)2(6,7)8

Isomere SMILES

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

WGK Deutschland

3

RTECS

KI4025000

UN-Nummer

2811

Verpackungsgruppe

I

Molekulargewicht

236.74

Beilstein

1740341

Reaxy-Rn

1740341

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1740341&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Klasse Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine 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

Zugehörige Ziele (menschlich)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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Zugehörige Ziele (nicht menschlich)

Aspergillus nidulans (364 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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

Discover Target: Nfe2l2

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 186°C
• Schmelzpunkt (°C): 185°C
• Molekulargewicht: 236.700 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 235.81 Da
• Monoisotopic Mass: 233.813 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 61.500
• 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