ácido 9-fenilcarbazol-3-borónico (contiene cantidades variables de anhídrido) - ≥98% , CAS No.854952-58-2

CAS: 854952-58-2 Cat. No.: P195337 Peso molecular: 287.13 Número EC: 691-972-0 PubChem CID: 51358450

GRADE & PURITY ≥98%

Synonyms

N-phenylcarbazol-3-boronic acid | 9-Phenylcarbazole-3-boronic Acid;9-Phenyl-3-carbazoleboronic acid | Adc Toluidine Red B | SY022636 | (9-phenyl)carbazole-3-boronic acid | SCHEMBL260470 | 9-Phenylcarbazole-3-boronic acid (contains varying amounts of Anhyd

Storage

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Specifications

Sinónimos

N-phenylcarbazol-3-boronic acid | 9-Phenylcarbazole-3-boronic Acid;9-Phenyl-3-carbazoleboronic acid | Adc Toluidine Red B | SY022636 | (9-phenyl)carbazole-3-boronic acid | SCHEMBL260470 | 9-Phenylcarbazole-3-boronic acid (contains varying amounts of Anhyd

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, cargado con argón

Enviado en

Hielo húmedo

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488201515
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201515
• Sonrisas canónicas: B(C1=CC2=C(C=C1)N(C3=CC=CC=C32)C4=CC=CC=C4)(O)O
• IUPAC Name: (9-phenylcarbazol-3-yl)boronic acid
• InChIKey: JWJQEUDGBZMPAX-UHFFFAOYSA-N
• INCHI: 1S/C18H14BNO2/c21-19(22)13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-12,21-22H
• Isómeros SMILES: B(C1=CC2=C(C=C1)N(C3=CC=CC=C32)C4=CC=CC=C4)(O)O
• PubChem CID: 51358450
• Peso molecular: 287.13
• Reaxy-Rn: 10566519

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: Phenylpyrroles Indoles Benzene and substituted derivatives Heteroaromatic compounds Boronic acids Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - 1-phenylpyrrole - Indole - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Boronic acid - Boronic acid derivative - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organonitrogen compound - Organic metalloid moeity - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side 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: Slightly soluble in water.
• Peso molecular: 287.100 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 287.112 Da
• Monoisotopic Mass: 287.112 Da
• Topological Polar Surface Area: 45.400 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 385.000
• 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

XLogP3

Referencias

1. Jiapei Gu, Xiangqian Li, Guofu Zhou, Wanqiang Liu, Jinwei Gao, Qianming Wang.  (2019)  A novel self-calibrating strategy for real time monitoring of formaldehyde both in solution and solid phase.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:31881494] [10.1016/j.jhazmat.2019.121883]

2. Yunsuo Kuang, Linfeng Chen, Xike Tian, Yong Li, Liqiang Lu, Chao Yang, Zhaoxin Zhou, Yulun Nie.  (2018)  Novel AIEgens with a 3,5-dibromobenzaldehyde skeleton: molecular design, synthesis, tunable emission and detection application.  Analytical Methods,  10  (46): (5486-5492).  [PMID:] [10.1039/C8AY02070A]