m-Tolylboronic acid (contains varying amounts of Anhydride) - ≥97% , CAS No.17933-03-8

CAS: 17933-03-8 Cat. No.: T103179 Molecular Weight: 135.96 Beilstein Registry Number: 16(4)1672 EC Number: 605-855-9 PubChem CID: 2733950

GRADE & PURITY ≥97%

Synonyms

AS-2512 | STK503699 | 3-Methylbenzeneboronic Acid | m-toluylboronic acid | 3-tolyl boronic acid | BCP22770 | F0001-0651 | 3-Methyl phenyl boronic acid | 3-Methylphenylboronic acid | 3-methyl-phenylboronic acid | 3-methyl-phenyl-boronic acid | Z336079540 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

AS-2512 | STK503699 | 3-Methylbenzeneboronic Acid | m-toluylboronic acid | 3-tolyl boronic acid | BCP22770 | F0001-0651 | 3-Methyl phenyl boronic acid | 3-Methylphenylboronic acid | 3-methyl-phenylboronic acid | 3-methyl-phenyl-boronic acid | Z336079540 |

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504761050
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761050
• Canonical Smiles: B(C1=CC(=CC=C1)C)(O)O
• IUPAC Name: (3-methylphenyl)boronic acid
• InChIKey: BJQCPCFFYBKRLM-UHFFFAOYSA-N
• INCHI: 1S/C7H9BO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5,9-10H,1H3
• Isomeric SMILES: B(C1=CC(=CC=C1)C)(O)O
• WGK Germany: 3
• RTECS: ED7788888
• PubChem CID: 2733950
• Molecular Weight: 135.96
• Beilstein: 16(4)1672
• Reaxy-Rn: 2935968

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Toluenes
• Alternative Parents: Boronic acids Organic metalloid salts Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Toluene - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organoboron compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
• 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: Slightly soluble in water; Soluble in Methanol
• Melt Point(°C): 160-162°C
• Molecular Weight: 135.960 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 136.07 Da
• Monoisotopic Mass: 136.07 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 106.000
• 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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