Esacloroetano - ≥99%(GC) , CAS No.67-72-1

CAS: 67-72-1 Cat. No.: H110390 Formula: C₂Cl₆ Peso molecolare: 236.74 Beilstein Registry Number: 1740341 Numero EC: 200-666-4

QUALITÀ & PUREZZA ≥99%(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

Normale

Panoramica

È stato studiato l'effetto delle concentrazioni di perossido di idrogeno sulla degradazione dell'esacloroetano in assenza e in presenza di tetracloroetene mediante il reagente di Fenton.

L'esacloroetano è stato utilizzato come catalizzatore nella preparazione di clorosilani da idrosilani. È stato utilizzato per studiare la trasformazione dell'esacloroetano nelle acque naturali. È stato utilizzato come reagente nella reazione di policondensazione dell'acido p-aminobenzoico.

Specifiche

Sinonimi

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

Specifiche e purezza

≥99%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥99%(GC)

Nomi e identificatori

Pubchem Sid

504751028

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751028

Sorrisi canonici

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

Isomeri SMILES

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

WGK Germania

3

RTECS

KI4025000

Numero UN

2811

Gruppo di imballaggio

I

Peso molecolare

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
    • Classe Organochlorides

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

Obiettivi associati (umani)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

Obiettivi associati (non umani)

Aspergillus nidulans (364 Activities)

Explore this target

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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

lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water.
• Punto di ebollizione (°C): 186°C
• Punto di fusione (°C): 185°C
• Peso molecolare: 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

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 67-72-1, the molecular formula is C2Cl6, and the molecular weight is 236.74 g/mol. InChIKey VHHHONWQHHHLTI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.