2,6-Dichlorohydroquinone - ≥97% , CAS No.20103-10-0

CAS: 20103-10-0 Cat. No.: D1367528 分子式: C₆H₄Cl₂O₂ 分子量: 179 PubChem CID: 88366

GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Specifications

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

• カノニカル・スマイル: C1=C(C=C(C(=C1Cl)O)Cl)O
• IUPAC Name: 2,6-dichlorobenzene-1,4-diol
• InChIKey: QQAHQUBHRBQWBL-UHFFFAOYSA-N
• INCHI: 1S/C6H4Cl2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2,9-10H
• 異性体SMILES: C1=C(C=C(C(=C1Cl)O)Cl)O
• PubChem CID: 88366
• 分子量: 179

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenols
      • Subclass 1,4-dihydroxy-2-halobenzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenols
• Subclass: 1,4-dihydroxy-2-halobenzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-dihydroxy-2-halobenzenoids
• Alternative Parents: Chlorohydroquinones O-chlorophenols M-chlorophenols Dichlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,4-dihydroxy-2-halobenzenoid - Chlorohydroquinone - 1,3-dichlorobenzene - 3-halophenol - 2-halophenol - Hydroquinone - 3-chlorophenol - 2-chlorophenol - Chlorobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as 1,4-dihydroxy-2-halobenzenoids. These are aromatic compounds containing a 1,-2-dihydroxybenzene moiety, which carries an halogen atom at the ring 2-position.
• External Descriptors: dichlorohydroquinone

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

化学的性質と物理的性質

• 分子量: 179.000 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 177.959 Da
• Monoisotopic Mass: 177.959 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 108.000
• 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