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

CAS: 87-65-0 Cat. No.: D104319 Formule: C₆H₄Cl₂O Poids moléculaire: 163 Beilstein Registry Number: 1447806 Numéro CE: 201-761-3

QUALITÉ & PURETÉ 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

Spécifications

Synonymes

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 Afficher plus

Spécifications et pureté

analytical standard

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Grade

Étalon d'analyse

Noms et identifiants

Pubchem Sid

528755647

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

2

RTECS

SK8750000

Numéro ONU

2020

Groupe d'emballage

III

Poids moléculaire

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Cibles associées (humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive.
• Point d'ébullition (°C): 219-220°C
• Point de fusion (°C): 67-69°C
• Poids moléculaire: 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