(2,6-Difluoro-4-isopropoxyphenyl)boronic acid (contains varying amounts of Anhydride) - ≥97% , CAS No.2096337-66-3

CAS: 2096337-66-3 Cat. No.: D588084 Peso molecular: 215.99

GRADE & PURITY ≥97%

Synonyms

(2,6-Difluoro-4-isopropoxyphenyl)boronic acid | 2096337-66-3 | Boronic acid, B-[2,6-difluoro-4-(1-methylethoxy)phenyl]- | 2,6-Difluoro-4-isopropoxyphenylboronic acid | AB93137 | AKOS027331518 | 2,6-Difluoro-4-isopropyloxyphenylboronic acid | (2,6-difluoro

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

(2, 6-Difluoro-4-isopropoxyphenyl)boronic acid | 2096337-66-3 | Boronic acid, B-[2, 6-difluoro-4-(1-methylethoxy)phenyl]- | 2, 6-Difluoro-4-isopropoxyphenylboronic acid | AB93137 | AKOS027331518 | 2, 6-Difluoro-4-isopropyloxyphenylboronic acid | (2, 6-difluoro

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: B(C1=C(C=C(C=C1F)OC(C)C)F)(O)O
• IUPAC Name: (2,6-difluoro-4-propan-2-yloxyphenyl)boronic acid
• InChIKey: DHCDNEJEXMOLHK-UHFFFAOYSA-N
• INCHI: 1S/C9H11BF2O3/c1-5(2)15-6-3-7(11)9(10(13)14)8(12)4-6/h3-5,13-14H,1-2H3
• Isómeros SMILES: B(C1=C(C=C(C=C1F)OC(C)C)F)(O)O
• Peso molecular: 215.99
• Reaxy-Rn: 42840405
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=42840405&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 Fluorobenzenes Alkyl aryl ethers Aryl fluorides Boronic acids Organic metalloid salts Organofluorides Organoboron compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Halobenzene - Fluorobenzene - Alkyl aryl ether - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Boronic acid - Boronic acid derivative - Organic metalloid salt - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organofluoride - Organoboron compound - Organohalogen compound - 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: 215.990 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 216.077 Da
• Monoisotopic Mass: 216.077 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 192.000
• 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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