2-(Hydroxymethyl)benzeneboronic acid - ≥97% , CAS No.87199-14-2

CAS: 87199-14-2 Cat. No.: H119617 Molecular Weight: 151.96 EC Number: 674-848-0

GRADE & PURITY ≥97%

Synonyms

DTXSID20402562 | EN300-6769108 | GS-6630 | 2-(Hydroxymethyl)phenylboronic acid | 2-(hydroxymethyl)-phenylboronic acid | J-506438 | SCHEMBL8530 | (2-(Hydroxymethyl)phenyl)boronic acid | AKOS000285067 | H1345 | 2-hydroxymethylphenylboronic acid | 2-hydroxym

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID20402562 | EN300-6769108 | GS-6630 | 2-(Hydroxymethyl)phenylboronic acid | 2-(hydroxymethyl)-phenylboronic acid | J-506438 | SCHEMBL8530 | (2-(Hydroxymethyl)phenyl)boronic acid | AKOS000285067 | H1345 | 2-hydroxymethylphenylboronic acid | 2-hydroxym

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488194839
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194839
• Canonical Smiles: B(C1=CC=CC=C1CO)(O)O
• IUPAC Name: [2-(hydroxymethyl)phenyl]boronic acid
• InChIKey: AFHOBSCDNXGFMO-UHFFFAOYSA-N
• INCHI: 1S/C7H9BO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9-11H,5H2
• Isomeric SMILES: B(C1=CC=CC=C1CO)(O)O
• Molecular Weight: 151.96
• Reaxy-Rn: 2965279
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2965279&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzyl alcohols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzyl alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl alcohols
• Alternative Parents: Boronic acids Organic metalloid salts Primary alcohols Organometalloid compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl alcohol - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organic metalloid moeity - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.
• 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

• Solubility: Soluble in Methanol
• Molecular Weight: 151.960 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• 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: 118.000
• 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

References

1. Dandan Song, Jing Zheng, Nosang V. Myung, Jingli Xu, Min Zhang.  (2020)  Sandwich-type electrochemical immunosensor for CEA detection using magnetic hollow Ni/C@SiO2 nanomatrix and boronic acid functionalized CPS@PANI@Au probe.  TALANTA,      [PMID:33592745] [10.1016/j.talanta.2020.122006]

2. Yao Zimin, Zheng Guoliang, Zheng Yonggui, Wen Xiaokun, Hong Xia, Yan Jiayi, Liu Wen, Wang Jiwei, Wang Kexin, Cao Shuo.  (2025)  Ratiometric fluorescence sensing of sialic acid based on dual-emission carbon dots.  MICROCHIMICA ACTA,  192  (7): (1-9).  [PMID:40473999] [10.1007/s00604-025-07237-3]