structure of (9-Phenyl-9H-carbazol-2-yl)boronic acid

(9-Phenyl-9H-carbazol-2-yl)boronic acid

CAS No.: 1001911-63-2
M. Wt: 287.120
M. Fa: C18H14BNO2
InChI Key: XSAOVBUSKVZIBE-UHFFFAOYSA-N
Appearance: White to Almost white powder to crystal

Names and Identifiers of (9-Phenyl-9H-carbazol-2-yl)boronic acid

CAS Number

1001911-63-2

EC Number

808-209-6

MDL Number

MFCD22207050

IUPAC Name

(9-phenylcarbazol-2-yl)boronic acid

InChI

InChI=1S/C18H14BNO2/c21-19(22)13-10-11-16-15-8-4-5-9-17(15)20(18(16)12-13)14-6-2-1-3-7-14/h1-12,21-22H

InChIKey

XSAOVBUSKVZIBE-UHFFFAOYSA-N

Canonical SMILES

B(C1=CC2=C(C=C1)C3=CC=CC=C3N2C4=CC=CC=C4)(O)O

UNSPSC Code

12352100

Physical and chemical properties of (9-Phenyl-9H-carbazol-2-yl)boronic acid

Acidity coefficient

8.91±0.30(Predicted)

Boiling Point

466.0±51.0 °C at 760 mmHg

Density

1.2±0.1 g/cm3

Exact Mass

287.111755

Flash Point

235.6±30.4 °C

Index of Refraction

1.638

LogP

5.57

Molecular Formula

C18H14BNO2

Molecular Weight

287.120

PSA

45.39000

Solubility

very slightly in Tetrahydrofuran

Storage condition

under inert gas (nitrogen or Argon) at 2-8°C

Vapour Pressure

0.0±1.2 mmHg at 25°C

Safety Information of (9-Phenyl-9H-carbazol-2-yl)boronic acid

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of (9-Phenyl-9H-carbazol-2-yl)boronic acid

9-Phenylcarbazole-2-boronic acidSimilar structure but different substitutionOrganic synthesis and optoelectronics9-(4-Phenyl)boronic acid pinacol esterUsed in similar coupling reactionsOrganic synthesis3-(9H-Carbazol-9-yl)boronic acidBoronic acid group on a different positionOrganic electronics

Interaction Studies of (9-Phenyl-9H-carbazol-2-yl)boronic acid

The compound interacts through mechanisms such as Suzuki coupling, which allows for efficient carbon-carbon bond formation essential for constructing complex organic molecules. Its interactions are influenced by environmental factors; thus, it is recommended to store it under inert gas conditions at controlled temperatures (2–8°C) to maintain stability.

Physical sample testing spectrum (NMR) of (9-Phenyl-9H-carbazol-2-yl)boronic acid

Physical sample testing spectrum (NMR) of (9-Phenyl-9H-carbazol-2-yl)boronic acid

Retrosynthesis analysis of (9-Phenyl-9H-carbazol-2-yl)boronic acid

  • Route#1

    Cas:444796-09-2
    Cas:1001911-63-2

  • Route#2

    Cas:94994-62-4
    Cas:1001911-63-2