2,6-Dihydroxybenzeneboronic acid(contains varying amounts of Anhydride) - ≥95% , CAS No.848409-34-7

CAS: 848409-34-7 Cat. No.: D186905 Molecular Weight: 153.9 EC Number: 696-075-8

GRADE & PURITY ≥95%

Synonyms

SCHEMBL3784650 | J-500609 | 2,6-Dihydroxybenzeneboronic acid | 2-Boronobenzene-1,3-diol | 2,6-dihydroxyphenylboronic acid | (2,6-Dihydroxyphenyl)boronic acid | SY065391 | AB93185 | DTXSID60657019 | MFCD09998727 | AKOS016004699 | AS-30606 | (2,6-Dihydroxyp

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

SCHEMBL3784650 | J-500609 | 2, 6-Dihydroxybenzeneboronic acid | 2-Boronobenzene-1, 3-diol | 2, 6-dihydroxyphenylboronic acid | (2, 6-Dihydroxyphenyl)boronic acid | SY065391 | AB93185 | DTXSID60657019 | MFCD09998727 | AKOS016004699 | AS-30606 | (2, 6-Dihydroxyp

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: B(C1=C(C=CC=C1O)O)(O)O
• IUPAC Name: (2,6-dihydroxyphenyl)boronic acid
• InChIKey: ACIZIJMWGZWBDP-UHFFFAOYSA-N
• INCHI: 1S/C6H7BO4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-11H
• Isomeric SMILES: B(C1=C(C=CC=C1O)O)(O)O
• Molecular Weight: 153.9
• Reaxy-Rn: 9192850
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9192850&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Benzenediols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Not available
• Direct Parent: Resorcinols
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Boronic acids Organic metalloid salts Organooxygen compounds Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as resorcinols. These are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3.
• 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

Chemical and Physical Properties

• Sensitivity: air sensitive
• Molecular Weight: 153.930 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 154.044 Da
• Monoisotopic Mass: 154.044 Da
• Topological Polar Surface Area: 80.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 120.000
• 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