2,6-Dichlorophenol - ≥99% , CAS No.87-65-0

CAS: 87-65-0 Cat. No.: D305427 Fórmula: C₆H₄Cl₂O Peso molecular: 163 Beilstein Registry Number: 1447806 Número CE: 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

Room temperature

Shipped In

FedEx DG Service

Visão geral

Soluble in alcohol, ether, petroleum ether, benzene and water. Low toxicity, 50% lethal dose (rat, oral) 2940mg/kg. Irritating to eyes and skin.Organic synthesis, gas chromatography to compare samples.

Specifications

Sinónimos

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 |

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

24862119

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

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

WGK Alemanha

2

RTECS

SK8750000

Número UN

2020

Grupo de embalagem

III

Peso molecular

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
• Descrição: 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

Alvos associados (humanos)

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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive
• Ponto de ebulição (°C): 219-220°C
• Ponto de fusão (°C): 67-69°C
• Peso molecular: 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

Perguntas frequentes

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.