2,6-Dichlorophenol - analytical standard , CAS No.87-65-0

CAS: 87-65-0 Cat. No.: D104319 分子式: C₆H₄Cl₂O 分子量: 163 Beilstein Registry Number: 1447806 EC番号: 201-761-3

グレード＆純度 Analytical standard

Synonyms

2,6-DCP|2,6-Dichlorophenol; NSC 60647; Phloroglucinol Impurity I|DUB|2,6-DICHLOROPHENOL [MI]|2,6-DICHLOROPHENOL [HSDB]|Phenol, 2,6-dichloro-|Dichlorophenol, 2,6-|2,6-DICHLOROPHENOL|2,6-dichloro-phenol|2,6-DCP, 2,6-Dichlorophenol|2,6-Dichlorfenol|2.6-dichlorophenol|2,6 dichlorophenol|LOFEXIDINE METABOLITE (2,6 DCP)|2,6-Dichlorfenol [Czech]|2,6-dichlorphenol|RCRA waste number U082

Storage

Room temperature

Shipped In

FedEx DG Service

仕様

同義語

2,6-DCP | 2,6-Dichlorophenol; NSC 60647; Phloroglucinol Impurity I | DUB | 2,6-DICHLOROPHENOL [MI] | 2,6-DICHLOROPHENOL [HSDB] | Phenol, 2,6-dichloro- | Dichlorophenol, 2,6- | 2,6-DICHLOROPHENOL | 2,6-dichloro-phenol | 2,6-DCP, 2,6-Dichlorophenol | 2,6-Dichlorfenol | 2.6-dichlorophenol | 2,6 dichlorophenol | LOFEXIDINE METABOLITE (2,6 DCP もっと見る

仕様と純度

analytical standard

保管条件

Room temperature

入荷

FedEx DG Service

等級

分析用標準物質

名前と識別子

パブケム・シド

528755647

カノニカル・スマイル

C1=CC(=C(C(=C1)Cl)O)Cl

IUPAC Name

2,6-dichlorophenol

InChIKey

HOLHYSJJBXSLMV-UHFFFAOYSA-N

INCHI

1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H

異性体SMILES

C1=CC(=C(C(=C1)Cl)O)Cl

WGKドイツ

2

RTECS

SK8750000

UN番号

2020

包装グループ

III

分子量

163

Beilstein

1447806

Reaxy-Rn

1447806

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1447806&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: O-chlorophenols 1-hydroxy-4-unsubstituted benzenoids Aryl chlorides Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-chlorophenol - 2-halophenol - 1,3-dichlorobenzene - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Aryl halide - Aryl chloride - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• External Descriptors: dichlorophenol

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

関連ターゲット（人間）

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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

作用メカニズム

化学的性質と物理的性質

• 感度: Moisture sensitive.
• 沸点（°C）: 219-220°C
• 融点（°C）: 67-69°C
• 分子量: 163.000 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 161.964 Da
• Monoisotopic Mass: 161.964 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 87.100
• 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