4-Hydroxy-3-methylbenzeneboronic acid(contains varying amounts of anhydride) - ≥97% , CAS No.762263-66-1

CAS: 762263-66-1 Cat. No.: H590113 Molecular Weight: 151.96

GRADE & PURITY ≥97%

Synonyms

4-HYDROXY-3-METHYLBENZENEBORONIC ACID | Boronic acid, (4-hydroxy-3-methylphenyl)- (9CI) | EN300-1228839 | (4-Hydroxy-3-methylphenyl)boronic acid | AMY29886 | SY104712 | FT-0686863 | GZHWHLOMMPXHPW-UHFFFAOYSA-N | AKOS016000231 | W17226 | 4-hydroxy-3-methyl

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

4-HYDROXY-3-METHYLBENZENEBORONIC ACID | Boronic acid, (4-hydroxy-3-methylphenyl)- (9CI) | EN300-1228839 | (4-Hydroxy-3-methylphenyl)boronic acid | AMY29886 | SY104712 | FT-0686863 | GZHWHLOMMPXHPW-UHFFFAOYSA-N | AKOS016000231 | W17226 | 4-hydroxy-3-methyl

Specifications & Purity

≥97%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: B(C1=CC(=C(C=C1)O)C)(O)O
• IUPAC Name: (4-hydroxy-3-methylphenyl)boronic acid
• InChIKey: GZHWHLOMMPXHPW-UHFFFAOYSA-N
• INCHI: 1S/C7H9BO3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9-11H,1H3
• Isomeric SMILES: B(C1=CC(=C(C=C1)O)C)(O)O
• Molecular Weight: 151.96
• Reaxy-Rn: 15648837
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15648837&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Cresols
• Intermediate Tree Nodes: Not available
• Direct Parent: Ortho cresols
• Alternative Parents: Toluenes 1-hydroxy-2-unsubstituted benzenoids Boronic acids Organic metalloid salts Organooxygen compounds Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-cresol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - 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 ortho cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively.
• 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: Light sensitive
• Molecular Weight: 151.960 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 152.064 Da
• Monoisotopic Mass: 152.064 Da
• Topological Polar Surface Area: 60.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 129.000
• 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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