3-Fluoro-5-methylphenylboronic Acid (contains varying amounts of Anhydride) - ≥98% , CAS No.850593-06-5

CAS: 850593-06-5 Cat. No.: F139332 Peso molecular: 153.95 Número EC: 822-957-0

GRADE & PURITY ≥98%

Synonyms

DTXSID40598214 | SY033796 | PS-9510 | 3-Fluoro-5-methylbenzeneboronic acid | F1068 | AM804403 | EN300-1696851 | (3-fluoranyl-5-methyl-phenyl)boronic acid | Z1201623981 | AKOS000285076 | W10576 | 5-Fluoro-3-methylphenylboronic acid | 3-FLUORO-5-METHYLPHENY

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXSID40598214 | SY033796 | PS-9510 | 3-Fluoro-5-methylbenzeneboronic acid | F1068 | AM804403 | EN300-1696851 | (3-fluoranyl-5-methyl-phenyl)boronic acid | Z1201623981 | AKOS000285076 | W10576 | 5-Fluoro-3-methylphenylboronic acid | 3-FLUORO-5-METHYLPHENY

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504768820
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768820
• Sonrisas canónicas: B(C1=CC(=CC(=C1)F)C)(O)O
• IUPAC Name: (3-fluoro-5-methylphenyl)boronic acid
• InChIKey: QQPLHUGOUZKARP-UHFFFAOYSA-N
• INCHI: 1S/C7H8BFO2/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,10-11H,1H3
• Isómeros SMILES: B(C1=CC(=CC(=C1)F)C)(O)O
• Peso molecular: 153.95
• Reaxy-Rn: 18349578
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18349578&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Toluenes Aryl fluorides Boronic acids Organic metalloid salts Organometalloid compounds Organofluorides Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Toluene - Fluorobenzene - Aryl halide - Aryl fluoride - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organofluoride - Organic metalloid moeity - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to 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

• Solubilidad: Soluble in Methanol
• Punto de fusión (°C): 222 °C
• Peso molecular: 153.950 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 154.06 Da
• Monoisotopic Mass: 154.06 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 132.000
• 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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