Ácido quinolin-6-ilborónico (contiene cantidades variables de anhídrido) - ≥98% , CAS No.376581-24-7

CAS: 376581-24-7 Cat. No.: Q335169 Peso molecular: 172.98 Número EC: 691-953-7 PubChem CID: 4192671

GRADE & PURITY ≥98%

Synonyms

Quinolin-6-ylboronic Acid | QUINOLIN-6-YL-6-BORONIC ACID | Quinoline-6-boronic acid | BBL104194 | MFCD03093100 | DTXSID40400626 | BORONIC ACID, 6-QUINOLINYL- | quinolin-6-ylboronicacidhydrochloride | AKOS002664290 | 6-quinolineboronic acid | STL558024 | 6

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Descripción general

Es una importante materia prima e intermedio utilizado en síntesis orgánica, productos farmacéuticos, agroquímicos y colorantes.

Specifications

Sinónimos

Quinolin-6-ylboronic Acid | QUINOLIN-6-YL-6-BORONIC ACID | Quinoline-6-boronic acid | BBL104194 | MFCD03093100 | DTXSID40400626 | BORONIC ACID, 6-QUINOLINYL- | quinolin-6-ylboronicacidhydrochloride | AKOS002664290 | 6-quinolineboronic acid | STL558024 | 6

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504762904
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762904
• Sonrisas canónicas: B(C1=CC2=C(C=C1)N=CC=C2)(O)O
• IUPAC Name: quinolin-6-ylboronic acid
• InChIKey: JLOLSBLXNMVKGY-UHFFFAOYSA-N
• INCHI: 1S/C9H8BNO2/c12-10(13)8-3-4-9-7(6-8)2-1-5-11-9/h1-6,12-13H
• Isómeros SMILES: B(C1=CC2=C(C=C1)N=CC=C2)(O)O
• PubChem CID: 4192671
• Peso molecular: 172.98

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Pyridines and derivatives Benzenoids Heteroaromatic compounds Boronic acids Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Benzenoid - Pyridine - Heteroaromatic compound - Boronic acid - Boronic acid derivative - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic metalloid moeity - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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

• Índice de refracción: n20D1.65 (Predicted)
• Punto de ebullición (°C): ~400.3° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 106-109° C
• Peso molecular: 172.980 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 173.065 Da
• Monoisotopic Mass: 173.065 Da
• Topological Polar Surface Area: 53.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 177.000
• 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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