(5-Chloro-2-hydroxyphenyl)boronic Acid (contains varying amounts of Anhydride) - ≥98% , CAS No.89488-25-5

CAS: 89488-25-5 Cat. No.: C405494 Peso molecular: 172.37 Número EC: 639-351-5

GRADE & PURITY ≥98%

Synonyms

DTXSID20629636 | MFCD06659863 | PS-9506 | 5-CHLORO-2-HYDROXYPHENYLBORONICACID | AB26500 | (5-Chloro-2-hydroxyphenyl) boronic acid | EN300-257465 | 5-Chloro-2-hydroxyphenylboronic acid, AldrichCPR | AKOS004113800 | GGZASRFCRAZNPO-UHFFFAOYSA-N | N12081 | 5-

Storage

Room temperature

Specifications

Sinónimos

DTXSID20629636 | MFCD06659863 | PS-9506 | 5-CHLORO-2-HYDROXYPHENYLBORONICACID | AB26500 | (5-Chloro-2-hydroxyphenyl) boronic acid | EN300-257465 | 5-Chloro-2-hydroxyphenylboronic acid, AldrichCPR | AKOS004113800 | GGZASRFCRAZNPO-UHFFFAOYSA-N | N12081 | 5-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488200261
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200261
• Sonrisas canónicas: B(C1=C(C=CC(=C1)Cl)O)(O)O
• IUPAC Name: (5-chloro-2-hydroxyphenyl)boronic acid
• InChIKey: GGZASRFCRAZNPO-UHFFFAOYSA-N
• INCHI: 1S/C6H6BClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9-11H
• Isómeros SMILES: B(C1=C(C=CC(=C1)Cl)O)(O)O
• Peso molecular: 172.37
• Reaxy-Rn: 3031292
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3031292&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Halophenols
        • Level5 Chlorophenols
          • Level6 P-chlorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Chlorophenols
• Direct Parent: P-chlorophenols
• Alternative Parents: Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Boronic acids Organic metalloid salts Organooxygen compounds Organometalloid compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Boronic acid derivative - Boronic acid - Organic metalloid salt - Organochloride - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organic metalloid moeity - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as p-chlorophenols. These are chlorophenols carrying a iodine at the C4 position of the benzene ring.
• External Descriptors: Not available

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

Propiedades químicas y físicas

• Punto de fusión (°C): 188 °C
• Peso molecular: 172.370 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 172.01 Da
• Monoisotopic Mass: 172.01 Da
• Topological Polar Surface Area: 60.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 133.000
• 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

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