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

CAS: 67-72-1 Cat. No.: H110386 Fórmula: C₂Cl₆ Peso molecular: 236.74 Beilstein Registry Number: 1740341 Número EC: 200-666-4

CALIDAD & PUREZA 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

Especificaciones

Sinónimos

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

Especificaciones y pureza

Standard for GC, ≥99.5%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Grado

Standard for GC

Pureza

≥99.5%(GC)

Nombres e identificadores

Pubchem Sid

528770095

Pubchem Sid Url

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

Sonrisas canónicas

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

Isómeros SMILES

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

WGK Alemania

3

RTECS

KI4025000

Número ONU

2811

Grupo de embalaje

I

Peso molecular

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
    • Clase Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

Objetivos asociados (no humanos)

Aspergillus nidulans (364 Activities)

Explore this target

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

Mus musculus (284745 Activities)

Explore this target

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

Rattus norvegicus (775804 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de ebullición (°C): 186°C
• Punto de fusión (°C): 185°C
• Peso molecular: 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