4-(Difluoromethoxy)phenylboronic acid(contains varying amounts of Anhydride) - ≥98% , CAS No.688810-12-0

CAS: 688810-12-0 Cat. No.: D186031 Peso molecular: 187.94 Número EC: 807-139-3

GRADE & PURITY ≥98%

Synonyms

AC-22830 | EN300-1726325 | DTXSID30630394 | Z381513142 | MFCD09864667 | DS-16423 | 4-(DIFLUOROMETHOXY)PHENYLBORONIC ACID | SCHEMBL157627 | 4-difluoromethoxybenzeneboronic acid | (4-Difluoromethoxyphenyl)boronic acid | [4-(difluoromethoxy)phenyl]boronic ac

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

AC-22830 | EN300-1726325 | DTXSID30630394 | Z381513142 | MFCD09864667 | DS-16423 | 4-(DIFLUOROMETHOXY)PHENYLBORONIC ACID | SCHEMBL157627 | 4-difluoromethoxybenzeneboronic acid | (4-Difluoromethoxyphenyl)boronic acid | [4-(difluoromethoxy)phenyl]boronic ac

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: B(C1=CC=C(C=C1)OC(F)F)(O)O
• IUPAC Name: [4-(difluoromethoxy)phenyl]boronic acid
• InChIKey: MFZNJRNTHPKCFY-UHFFFAOYSA-N
• INCHI: 1S/C7H7BF2O3/c9-7(10)13-6-3-1-5(2-4-6)8(11)12/h1-4,7,11-12H
• Isómeros SMILES: B(C1=CC=C(C=C1)OC(F)F)(O)O
• Peso molecular: 187.94
• Reaxy-Rn: 15533144
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15533144&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 Boronic acids Organic metalloid salts Organooxygen compounds Organometalloid compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - Alkyl halide - Alkyl fluoride - 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

• Peso molecular: 187.940 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 188.046 Da
• Monoisotopic Mass: 188.046 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 149.000
• 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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