4-(2,2,2-Trifluoroethoxy)benzeneboronic acid - ≥98% , CAS No.886536-37-4

CAS: 886536-37-4 Cat. No.: M136805 Peso molecular: 219.95 Número EC: 690-432-1

GRADE & PURITY ≥98%

Synonyms

MFCD09027239 | DTXSID60655550 | [4-(2,2,2-trifluoroethoxy)phenyl]boronic acid | (4-(2,2,2-Trifluoroethoxy)phenyl)boronicacid | EN300-152032 | SB39611 | 4-(2,2,2-trifluoroethoxyl)phenylboronic acid | AMY3495 | 4-(2,2,2-Trifluoroethoxy)benzeneboronic acid |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD09027239 | DTXSID60655550 | [4-(2, 2, 2-trifluoroethoxy)phenyl]boronic acid | (4-(2, 2, 2-Trifluoroethoxy)phenyl)boronicacid | EN300-152032 | SB39611 | 4-(2, 2, 2-trifluoroethoxyl)phenylboronic acid | AMY3495 | 4-(2, 2, 2-Trifluoroethoxy)benzeneboronic acid |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504770213
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770213
• Sonrisas canónicas: B(C1=CC=C(C=C1)OCC(F)(F)F)(O)O
• IUPAC Name: [4-(2,2,2-trifluoroethoxy)phenyl]boronic acid
• InChIKey: DWRAMTYYMNLVBD-UHFFFAOYSA-N
• INCHI: 1S/C8H8BF3O3/c10-8(11,12)5-15-7-3-1-6(2-4-7)9(13)14/h1-4,13-14H,5H2
• Isómeros SMILES: B(C1=CC=C(C=C1)OCC(F)(F)F)(O)O
• Peso molecular: 219.95
• Reaxy-Rn: 14363837
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14363837&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 Alkyl aryl ethers Boronic acids Organic metalloid salts Organometalloid compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Ether - Organic metalloid salt - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - Organic oxygen 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

• Sensibilidad: light sensitive
• Punto de fusión (°C): 191-194℃
• Peso molecular: 219.960 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 220.052 Da
• Monoisotopic Mass: 220.052 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 190.000
• 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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