2,5-Dichlorophenol - ≥98% , CAS No.583-78-8

CAS: 583-78-8 Cat. No.: D106519 Fórmula: C₆H₄Cl₂O Peso molecular: 163 Beilstein Registry Number: 1907692 Número CE: 209-520-4

GRAU & PUREZA ≥98%

Synonyms

Phenol, 2,5-dichloro-|2,5-Dichlorophenol--d3|2,5-dichlorophenol|2,5-dichloro-phenol|2,5-Dichlorophenol (ACD/Name 4.0)|2,5-DICHLOROPHENOL [HSDB]|Phenol, 2,5-dichloro-; 2,5-Dichlorophenol; NSC 6296|DICHLOROPHENOL, 2,5-|2,5-DCP|3,6-dichlorophenol

Storage

Room temperature

Shipped In

FedEx DG Service

Especificações

Sinónimos

Phenol, 2,5-dichloro- | 2,5-Dichlorophenol--d3 | 2,5-dichlorophenol | 2,5-dichloro-phenol | 2,5-Dichlorophenol (ACD/Name 4.0) | 2,5-DICHLOROPHENOL [HSDB] | Phenol, 2,5-dichloro-; 2,5-Dichlorophenol; NSC 6296 | DICHLOROPHENOL, 2,5- | 2,5-DCP | 3,6-dichlorophenol

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

508807752

Sorrisos canónicos

C1=CC(=C(C=C1Cl)O)Cl

IUPAC Name

2,5-dichlorophenol

InChIKey

RANCECPPZPIPNO-UHFFFAOYSA-N

INCHI

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

SMILES isoméricas

C1=CC(=C(C=C1Cl)O)Cl

WGK Alemanha

2

RTECS

SK8600000

Número UN

2020

Grupo de embalagem

III

Peso molecular

163

Beilstein

1907692

Reaxy-Rn

1907692

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907692&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 M-chlorophenols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,4-dichlorobenzene - 3-halophenol - 2-halophenol - 2-chlorophenol - 3-chlorophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl chloride - Aryl halide - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - 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)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

Discover Target: HSD17B10

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Slightly soluble in water, soluble in benzene and petroleum ether, easily soluble in ethanol and ether.
• Ponto de inflamação (°C): 100°C
• Ponto de ebulição (°C): 211°C
• Ponto de fusão (°C): 54-58°C
• Peso molecular: 163.000 g/mol
• XLogP3: 3.100
• 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: 97.100
• 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