[5-hydroxy-2-(trifluoromethoxy)phenyl]boronic acid - ≥97% , CAS No.1217500-69-0

CAS: 1217500-69-0 Cat. No.: B637474 Peso molecular: 221.93 PubChem CID: 46739475

GRADE & PURITY ≥97%

Synonyms

(5-Hydroxy-2-(trifluoromethoxy)phenyl)boronic acid | EN300-7366045 | GRXHOVJTALGZII-UHFFFAOYSA-N | 1217500-69-0 | BS-21051 | Boronic acid, B-[5-hydroxy-2-(trifluoromethoxy)phenyl]- | 5-HYDROXY-2-(TRIFLUOROMETHOXY)PHENYLBORONICACID | [5-hydroxy-2-(trifluor

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(5-Hydroxy-2-(trifluoromethoxy)phenyl)boronic acid | EN300-7366045 | GRXHOVJTALGZII-UHFFFAOYSA-N | 1217500-69-0 | BS-21051 | Boronic acid, B-[5-hydroxy-2-(trifluoromethoxy)phenyl]- | 5-HYDROXY-2-(TRIFLUOROMETHOXY)PHENYLBORONICACID | [5-hydroxy-2-(trifluor

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: B(C1=C(C=CC(=C1)O)OC(F)(F)F)(O)O
• IUPAC Name: [5-hydroxy-2-(trifluoromethoxy)phenyl]boronic acid
• InChIKey: GRXHOVJTALGZII-UHFFFAOYSA-N
• INCHI: 1S/C7H6BF3O4/c9-7(10,11)15-6-2-1-4(12)3-5(6)8(13)14/h1-3,12-14H
• Isómeros SMILES: B(C1=C(C=CC(=C1)O)OC(F)(F)F)(O)O
• CAS alternativo: 1217500-69-0
• PubChem CID: 46739475
• Peso molecular: 221.93

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass 4-alkoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: 4-alkoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-alkoxyphenols
• Alternative Parents: Phenoxy compounds Phenol ethers 1-hydroxy-2-unsubstituted benzenoids Trihalomethanes Boronic acids Organic metalloid salts Organooxygen compounds Organometalloid compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-alkoxyphenol - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Trihalomethane - Boronic acid derivative - Boronic acid - Organic metalloid salt - Alkyl fluoride - Organooxygen compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - Hydrocarbon derivative - Halomethane - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 4-alkoxyphenols. These are phenols that carry an alkoxy group at the 4-position of the 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: 221.930 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 222.031 Da
• Monoisotopic Mass: 222.031 Da
• Topological Polar Surface Area: 69.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 211.000
• 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