9-Phenylcarbazole-3-boronic Acid (contains varying amounts of Anhydride) - ≥98% , CAS No.854952-58-2

CAS: 854952-58-2 Cat. No.: P195337 Molecular Weight: 287.13 EC Number: 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

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

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

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488201515
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201515
• Canonical Smiles: 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
• Isomeric SMILES: B(C1=CC2=C(C=C1)N(C3=CC=CC=C32)C4=CC=CC=C4)(O)O
• PubChem CID: 51358450
• Molecular Weight: 287.13
• Reaxy-Rn: 10566519

Taxonomic Classification

Taxonomy Tree

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

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

Chemical and Physical Properties

• Solubility: Slightly soluble in water.
• Molecular Weight: 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

References

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]