Hexachloroethane - CP , CAS No.67-72-1

CAS: 67-72-1 Cat. No.: H110388 분자식: C₂Cl₆ 분자량: 236.74 Beilstein Registry Number: 1740341 EC 번호: 200-666-4

등급 & 순도 CP

Synonyms

HEXACHLOROETHANE|67-72-1|Perchloroethane|Ethane, hexachloro-|1,1,1,2,2,2-Hexachloroethane|Avlothane|Carbon hexachloride|Hexachlorethane|Mottenhexe|Distokal|Distopan|Distopin|Falkitol|Phenohep|Egitol|Ethylene hexachloride|Hexachloroethylene|Ethane hexachlo

Storage

Room temperature

Shipped In

FedEx DG Service

개요

 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.

사양

동의어

HEXACHLOROETHANE | 67-72-1 | Perchloroethane | Ethane, hexachloro- | 1,1,1,2,2,2-Hexachloroethane | Avlothane | Carbon hexachloride | Hexachlorethane | Mottenhexe | Distokal | Distopan | Distopin | Falkitol | Phenohep | Egitol | Ethylene hexachloride | Hexachloroethylene | Ethane hexachlo

사양 및 순도

CP

보관 조건

Room temperature

배송

FedEx DG Service

등급

CP

이름과 식별자

Pubchem Sid

508812484

정식 스마일

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

이성체 SMILES

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

WGK 독일

3

RTECS

KI4025000

UN 번호

2811

포장 그룹

I

분자량

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
    • 분류 Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

관련 대상(비인간)

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

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Insoluble in water.
• 끓는점(°C): 186°C
• 녹는점(°C): 185°C
• 분자량: 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