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

CAS: 87-65-0 Cat. No.: D104319 분자식: C₆H₄Cl₂O 분자량: 163 Beilstein Registry Number: 1447806 EC 번호: 201-761-3

등급 & 순도 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

사양

동의어

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 Show more

사양 및 순도

analytical standard

보관 조건

Room temperature

배송

FedEx DG Service

등급

분석 표준물질

이름과 식별자

Pubchem Sid

528755647

정식 스마일

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

이성체 SMILES

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

WGK 독일

2

RTECS

SK8750000

UN 번호

2020

포장 그룹

III

분자량

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
    • 분류 Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

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

관련 대상(인간)

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

작용 메커니즘

화학 및 물리적 특성

• 감도: Moisture sensitive.
• 끓는점(°C): 219-220°C
• 녹는점(°C): 67-69°C
• 분자량: 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