4-Benzyloxy-3-methylbenzeneboronic acid(contains varying amounts of Anhydride) - ≥96% , CAS No.338454-30-1

CAS: 338454-30-1 Cat. No.: B138690 Peso molecular: 242.08 Número EC: 833-564-9

GRADE & PURITY ≥96%

Synonyms

4-(Benzyloxy)-3-methylphenylboronic acid | 4-Benzyloxy-3-methylphenylboronic Acid (contains varying amounts of Anhydride) | (3-methyl-4-phenylmethoxyphenyl)boronic acid | (4-(Benzyloxy)-3-methylphenyl)boronicacid | AKOS004114011 | BBL100673 | MFCD06409944

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-(Benzyloxy)-3-methylphenylboronic acid | 4-Benzyloxy-3-methylphenylboronic Acid (contains varying amounts of Anhydride) | (3-methyl-4-phenylmethoxyphenyl)boronic acid | (4-(Benzyloxy)-3-methylphenyl)boronicacid | AKOS004114011 | BBL100673 | MFCD06409944

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 488199534
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199534
• Sonrisas canónicas: B(C1=CC(=C(C=C1)OCC2=CC=CC=C2)C)(O)O
• IUPAC Name: (3-methyl-4-phenylmethoxyphenyl)boronic acid
• InChIKey: QPXFEWQLALNXEZ-UHFFFAOYSA-N
• INCHI: 1S/C14H15BO3/c1-11-9-13(15(16)17)7-8-14(11)18-10-12-5-3-2-4-6-12/h2-9,16-17H,10H2,1H3
• Isómeros SMILES: B(C1=CC(=C(C=C1)OCC2=CC=CC=C2)C)(O)O
• Peso molecular: 242.08
• Reaxy-Rn: 8694009
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8694009&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Toluenes Alkyl aryl ethers Boronic acids Organic metalloid salts Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Toluene - Alkyl aryl ether - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a 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

• Punto de fusión (°C): 102-106℃
• Peso molecular: 242.080 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 242.111 Da
• Monoisotopic Mass: 242.111 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 241.000
• 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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