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

CAS: 67-72-1 Cat. No.: H110390 Formule: C₂Cl₆ Poids moléculaire: 236.74 Beilstein Registry Number: 1740341 Numéro CE: 200-666-4

QUALITÉ & PURETÉ ≥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

FedEx DG Service

Vue d’ensemble

 Effect of hydrogen peroxide concentrations on the degradation of hexachloroethane in the absence and the presence of tetrachloroethene by Fenton′s reagent has been investigated.

Hexachloroethane was used as catalyst in preparation of chlorosilanes from hydrosilanes. It was used to investigate the transformation of hexachloroethane in natural waters. It was used as reagent during polycondensation reaction of p-aminobenzoic acid.

Spécifications

Synonymes

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

Spécifications et pureté

≥99%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Pureté

≥99%(GC)

Noms et identifiants

Pubchem Sid

504751028

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

RTECS

KI4025000

Numéro ONU

2811

Groupe d'emballage

I

Poids moléculaire

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
• Description: 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

Cibles associées (humaines)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

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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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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in water.
• Point d'ébullition (°C): 186°C
• Point de fusion (°C): 185°C
• Poids moléculaire: 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

Foire aux questions

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.