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

CAS: 583-78-8 Cat. No.: D106519 Formule: C₆H₄Cl₂O Poids moléculaire: 163 Beilstein Registry Number: 1907692 Numéro CE: 209-520-4

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Pureté

≥98%

Noms et identifiants

Pubchem Sid

508807752

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

2

RTECS

SK8600000

Numéro ONU

2020

Groupe d'emballage

III

Poids moléculaire

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
• 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Slightly soluble in water, soluble in benzene and petroleum ether, easily soluble in ethanol and ether.
• Point d'éclair (°C): 100°C
• Point d'ébullition (°C): 211°C
• Point de fusion (°C): 54-58°C
• Poids moléculaire: 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