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

CAS: 583-78-8 Cat. No.: D106519 Summenformel: C₆H₄Cl₂O Molekulargewicht: 163 Beilstein Registry Number: 1907692 EG-Nummer: 209-520-4

QUALITÄT & REINHEIT ≥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

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

FedEx DG Service

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508807752

Kanonisches Lächeln

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

Isomere SMILES

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

WGK Deutschland

2

RTECS

SK8600000

UN-Nummer

2020

Verpackungsgruppe

III

Molekulargewicht

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
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Ebene5 Chlorobenzenes
          • Ebene6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Slightly soluble in water, soluble in benzene and petroleum ether, easily soluble in ethanol and ether.
• Flammpunkt (°C): 100°C
• Siedepunkt (°C): 211°C
• Schmelzpunkt (°C): 54-58°C
• Molekulargewicht: 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