(3-Chloro-5-hydroxyphenyl)boronic acid(Contains varying amounts of anhydride) - ≥95% , CAS No.1214900-52-3

CAS: 1214900-52-3 Cat. No.: C586640 Peso molecular: 172.37 Número EC: 804-843-2

GRADE & PURITY ≥95%

Synonyms

AB70644 | EN300-2566327 | SY278146 | N12674 | MFCD15143456 | BNQINYYEZBLUKO-UHFFFAOYSA-N | (3-Chloro-5-hydroxyphenyl)boronic acid | 1214900-52-3 | 3-CHLORO-5-HYDROXYPHENYLBORONIC ACID | (3-Chloro-5-hydroxyphenyl)boronicacid | DS-14253 | AKOS006332977 | Bo

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

AB70644 | EN300-2566327 | SY278146 | N12674 | MFCD15143456 | BNQINYYEZBLUKO-UHFFFAOYSA-N | (3-Chloro-5-hydroxyphenyl)boronic acid | 1214900-52-3 | 3-CHLORO-5-HYDROXYPHENYLBORONIC ACID | (3-Chloro-5-hydroxyphenyl)boronicacid | DS-14253 | AKOS006332977 | Bo

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504771090
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771090
• Sonrisas canónicas: B(C1=CC(=CC(=C1)Cl)O)(O)O
• IUPAC Name: (3-chloro-5-hydroxyphenyl)boronic acid
• InChIKey: BNQINYYEZBLUKO-UHFFFAOYSA-N
• INCHI: 1S/C6H6BClO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9-11H
• Isómeros SMILES: B(C1=CC(=CC(=C1)Cl)O)(O)O
• Peso molecular: 172.37
• Reaxy-Rn: 20139787
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20139787&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Chlorophenols
• Direct Parent: M-chlorophenols
• Alternative Parents: Chlorobenzenes 1-hydroxy-4-unsubstituted benzenoids 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: 3-chlorophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Boronic acid derivative - Boronic acid - Organic metalloid salt - Organic metalloid moeity - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as m-chlorophenols. These are chlorophenols carrying a iodine at the C3 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

• 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

XLogP3

Referencias

1. Yucui Shen, Ye Feng, Shengjie Liang, Chunyong Liang, Baoe Li, Donghui Wang, Jianwei Sun.  (2024)  In Situ Gelation Strategy for Efficient Drug Delivery in a Gastrointestinal System.  ACS Biomaterials Science & Engineering,      [PMID:39038263] [10.1021/acsbiomaterials.4c00751]