5-Bromo-2-methoxyphenylboronic acid (contains varying amounts of anhydride) - ≥95% , CAS No.89694-45-1

CAS: 89694-45-1 Cat. No.: B187894 Peso molecular: 230.85 Número EC: 627-323-5

GRADE & PURITY ≥95%

Synonyms

5-bromo-2-methyloxyphenylboronic acid | AB03344 | 5-Bromo-2-methoxyphenylboronic acid | 5-bromo-2-methoxy-phenylboronic acid | Boronic acid, (5-bromo-2-methoxyphenyl)- | FT-0642137 | SCHEMBL1235272 | MFCD00093409 | FVRLSHRAYPFXRQ-UHFFFAOYSA-N | AKOS015834

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

5-bromo-2-methyloxyphenylboronic acid | AB03344 | 5-Bromo-2-methoxyphenylboronic acid | 5-bromo-2-methoxy-phenylboronic acid | Boronic acid, (5-bromo-2-methoxyphenyl)- | FT-0642137 | SCHEMBL1235272 | MFCD00093409 | FVRLSHRAYPFXRQ-UHFFFAOYSA-N | AKOS015834

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: B(C1=C(C=CC(=C1)Br)OC)(O)O
• IUPAC Name: (5-bromo-2-methoxyphenyl)boronic acid
• InChIKey: FVRLSHRAYPFXRQ-UHFFFAOYSA-N
• INCHI: 1S/C7H8BBrO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,1H3
• Isómeros SMILES: B(C1=C(C=CC(=C1)Br)OC)(O)O
• WGK Alemania: 3
• Peso molecular: 230.85
• Reaxy-Rn: 3031445
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3031445&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Bromobenzenes Alkyl aryl ethers Aryl bromides Boronic acids Organic metalloid salts Organometalloid compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Ether - Organic metalloid salt - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic metalloid moeity - Organobromide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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 & Moisture Sensitive
• Punto de fusión (°C): 132℃
• Peso molecular: 230.850 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 229.975 Da
• Monoisotopic Mass: 229.975 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 145.000
• 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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