(4-(9H-Carbazol-9-yl)phenyl)boronic acid(contains varying amounts of Anhydride) - ≥98% , CAS No.419536-33-7

CAS: 419536-33-7 Cat. No.: H303692 Molecular Weight: 287.13 EC Number: 808-009-9

GRADE & PURITY ≥98%

Synonyms

4-(carbazole-9-yl)phenyl boronic acid | UNII-113C650IR1 | 4-(9-Carbazolyl)phenylboronic Acid | 4-(carbazol-9-yl)phenylboronic acid | Z3234887160 | 4-(N-carbazolyl)phenyl boronic acid | AM808119 | B-[4-(9H-carbazol-9-yl)phenyl]- Boronic acid | (4-(9H-Carba

Storage

Protected from light,Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

4-(carbazole-9-yl)phenyl boronic acid | UNII-113C650IR1 | 4-(9-Carbazolyl)phenylboronic Acid | 4-(carbazol-9-yl)phenylboronic acid | Z3234887160 | 4-(N-carbazolyl)phenyl boronic acid | AM808119 | B-[4-(9H-carbazol-9-yl)phenyl]- Boronic acid | (4-(9H-Carba

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature, Desiccated

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488200286
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200286
• Canonical Smiles: B(C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC=CC=C42)(O)O
• IUPAC Name: (4-carbazol-9-ylphenyl)boronic acid
• InChIKey: JGAVTCVHDMOQTJ-UHFFFAOYSA-N
• INCHI: 1S/C18H14BNO2/c21-19(22)13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-12,21-22H
• Isomeric SMILES: B(C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC=CC=C42)(O)O
• Molecular Weight: 287.13
• Reaxy-Rn: 10565612
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10565612&ln=

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

• Sensitivity: light sensitive
• Flash Point(°C): 227.6°C
• Boil Point(°C): 452.7°C
• Melt Point(°C): 264 °C
• 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: 361.000
• 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. Hai-Peng Liang, Qi Chen, Bao-Hang Han.  (2018)  Cationic Polycarbazole Networks as Visible-Light Heterogeneous Photocatalysts for Oxidative Organic Transformations.  ACS Catalysis,      [PMID:] [10.1021/acscatal.7b04494]