2,5-ジクロロフェノール - ≥98% , CAS No.583-78-8

CAS: 583-78-8 Cat. No.: D106519 分子式: C₆H₄Cl₂O 分子量: 163 Beilstein Registry Number: 1907692 EC番号: 209-520-4

グレード＆純度 ≥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

ノーマル

仕様

同義語

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

仕様と純度

≥98%

保管条件

Room temperature

入荷

ノーマル

純度

≥98%

名前と識別子

パブケム・シド

508807752

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

2

RTECS

SK8600000

UN番号

2020

包装グループ

III

分子量

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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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作用メカニズム

化学的性質と物理的性質

• 溶解度: Slightly soluble in water, soluble in benzene and petroleum ether, easily soluble in ethanol and ether.
• 引火点（°C）: 100°C
• 沸点（°C）: 211°C
• 融点（°C）: 54-58°C
• 分子量: 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