2,6-ジクロロフェノール - ≥99% , CAS No.87-65-0

CAS: 87-65-0 Cat. No.: D305427 分子式: C₆H₄Cl₂O 分子量: 163 Beilstein Registry Number: 1447806 EC番号: 201-761-3

GRADE & PURITY ≥99%

Synonyms

2,6-DCP | 2,6-Dichlorophenol; NSC 60647; Phloroglucinol Impurity I | EN300-21048 | STR01713 | DUB | A3157 | Z104486756 | 2,6-DICHLOROPHENOL [MI] | 2,6-Dichlorophenol, PESTANAL(R), analytical standard | NCGC00091304-01 | CCRIS 2511 | STL264123 | W-104010 |

Storage

室温

Shipped In

ノーマル

概要

アルコール、エーテル、石油エーテル、ベンゼン、水に可溶。低毒性、50%致死量（ラット、経口）2940mg/kg。有機合成、ガスクロマトグラフィーで試料を比較する。

Specifications

同義語

2,6-DCP | 2,6-Dichlorophenol; NSC 60647; Phloroglucinol Impurity I | EN300-21048 | STR01713 | DUB | A3157 | Z104486756 | 2,6-DICHLOROPHENOL [MI] | 2,6-Dichlorophenol, PESTANAL(R), analytical standard | NCGC00091304-01 | CCRIS 2511 | STL264123 | W-104010 |

仕様と純度

≥99%

保管条件

室温

入荷

ノーマル

純度

≥99%

名前と識別子

パブケム・シド

24862119

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488180197

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

よくある質問

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). 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 87-65-0, the molecular formula is C6H4Cl2O, and the molecular weight is 163 g/mol. InChIKey HOLHYSJJBXSLMV-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.