2-Chloro-4-trifluoromethoxyphenylboronic acid - ≥98% , CAS No.345226-20-2

CAS: 345226-20-2 Cat. No.: C183877 Peso molecular: 240.4

GRADE & PURITY ≥98%

Synonyms

2-chloro-4-trifluoromethoxybenzeneboronic acid | ISTQXKDCRJYPFJ-UHFFFAOYSA-N | SCHEMBL6077610 | [2-Chloro-4-(trifluoromethoxy)phenyl]boronic acid | 2-Chloro-4-(trifluoromethoxy)phenylboronic acid | MFCD11040272 | FT-0698294 | D82497 | (2-Chloro-4-(trifluo

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-chloro-4-trifluoromethoxybenzeneboronic acid | ISTQXKDCRJYPFJ-UHFFFAOYSA-N | SCHEMBL6077610 | [2-Chloro-4-(trifluoromethoxy)phenyl]boronic acid | 2-Chloro-4-(trifluoromethoxy)phenylboronic acid | MFCD11040272 | FT-0698294 | D82497 | (2-Chloro-4-(trifluo

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: B(C1=C(C=C(C=C1)OC(F)(F)F)Cl)(O)O
• IUPAC Name: [2-chloro-4-(trifluoromethoxy)phenyl]boronic acid
• InChIKey: ISTQXKDCRJYPFJ-UHFFFAOYSA-N
• INCHI: 1S/C7H5BClF3O3/c9-6-3-4(15-7(10,11)12)1-2-5(6)8(13)14/h1-3,13-14H
• Isómeros SMILES: B(C1=C(C=C(C=C1)OC(F)(F)F)Cl)(O)O
• Peso molecular: 240.4
• Reaxy-Rn: 9265545
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9265545&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 Chlorobenzenes Aryl chlorides Trihalomethanes Boronic acids Organic metalloid salts Organooxygen compounds Organometalloid compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Trihalomethane - Boronic acid derivative - Boronic acid - Organic metalloid salt - Organohalogen compound - Organochloride - Organofluoride - Organooxygen compound - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic oxygen compound - Alkyl halide - 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

• Peso molecular: 240.370 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 239.997 Da
• Monoisotopic Mass: 239.997 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 214.000
• 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