Quinoline-5-boronic Acid(contains varying amounts of Anhydride) - ≥97% , CAS No.355386-94-6

CAS: 355386-94-6 Cat. No.: Q123557 Molecular Weight: 172.98 EC Number: 670-357-0 PubChem CID: 5153389

GRADE & PURITY ≥97%

Synonyms

(quinolin-5-yl)boronic acid | AB13438 | BCP23481 | J-524178 | DTXSID90408935 | Quinoline-5-boronic acid | 5-Quinolineboronic acid | PS-9467 | SY003941 | Boronic acid, B-5-quinolinyl- | 5-quinolinylboronic acid | AC-6959 | SCHEMBL20346 | quinolin-5-yl-5-bo

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(quinolin-5-yl)boronic acid | AB13438 | BCP23481 | J-524178 | DTXSID90408935 | Quinoline-5-boronic acid | 5-Quinolineboronic acid | PS-9467 | SY003941 | Boronic acid, B-5-quinolinyl- | 5-quinolinylboronic acid | AC-6959 | SCHEMBL20346 | quinolin-5-yl-5-bo

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488195122
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195122
• Canonical Smiles: B(C1=C2C=CC=NC2=CC=C1)(O)O
• IUPAC Name: quinolin-5-ylboronic acid
• InChIKey: NWIJBOCPTGHGIK-UHFFFAOYSA-N
• INCHI: 1S/C9H8BNO2/c12-10(13)8-4-1-5-9-7(8)3-2-6-11-9/h1-6,12-13H
• Isomeric SMILES: B(C1=C2C=CC=NC2=CC=C1)(O)O
• PubChem CID: 5153389
• Molecular Weight: 172.98
• Reaxy-Rn: 9389392

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Melt Point(°C): 144-148°C
• Molecular Weight: 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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