Cyclohexylboronic Acid (contains varying amounts of Anhydride) - ≥97% , CAS No.4441-56-9

CAS: 4441-56-9 Cat. No.: C120310 Peso molecular: 127.98 Beilstein Registry Number: 16(4)1653 Número EC: 672-297-0

GRADE & PURITY ≥97%

Synonyms

Z56789446 | AC-9537 | Cyclohexaneboronic acid | Q27255721 | BRN 1921820 | C2188 | Cyclohexyl boronic acid | SCHEMBL127115 | BBL102850 | DTXSID30196162 | F0001-2294 | Boronic acid, cyclohexyl- | XDRVAZAFNWDVOE-UHFFFAOYSA-N | F0001-1209 | EN300-103018 | GS-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Reactant involved in: 1.HF-free synthesis of tetrabutylammonium trifluoroborates. 2.Cross-coupling with aromatic amines. 3.Suzuki cross-coupling reactions. 4.Arylation and alkylation of diphenylisoxazole.

Specifications

Sinónimos

Z56789446 | AC-9537 | Cyclohexaneboronic acid | Q27255721 | BRN 1921820 | C2188 | Cyclohexyl boronic acid | SCHEMBL127115 | BBL102850 | DTXSID30196162 | F0001-2294 | Boronic acid, cyclohexyl- | XDRVAZAFNWDVOE-UHFFFAOYSA-N | F0001-1209 | EN300-103018 | GS-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504757810
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757810
• Sonrisas canónicas: B(C1CCCCC1)(O)O
• IUPAC Name: cyclohexylboronic acid
• InChIKey: XDRVAZAFNWDVOE-UHFFFAOYSA-N
• INCHI: 1S/C6H13BO2/c8-7(9)6-4-2-1-3-5-6/h6,8-9H,1-5H2
• Isómeros SMILES: B(C1CCCCC1)(O)O
• WGK Alemania: 3
• RTECS: GU7171000
• Peso molecular: 127.98
• Beilstein: 16(4)1653
• Reaxy-Rn: 1921820
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1921820&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Boronic acid derivatives
      • Subclass Boronic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Boronic acid derivatives
• Subclass: Boronic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Boronic acids
• Alternative Parents: Organic metalloid salts Organic oxygen compounds Monoalkylboranes Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Boronic acid - Organic metalloid salt - Organic oxygen compound - Monoalkylborane - Alkylborane - Hydrocarbon derivative - Organic salt - Organoboron compound - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as boronic acids. These are compounds comprising the boronic acid functional group RB(O)O (R,R'=alkyl, aryl).
• 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
• Sensibilidad: heat sensitive,air sensitive
• Punto de fusión (°C): 120°C
• Peso molecular: 127.980 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 128.101 Da
• Monoisotopic Mass: 128.101 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 79.100
• 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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