Basic information
- Name:
Boronic acid,B-[2-[2-(triphenylmethyl)-2H-tetrazol-5-yl]phenyl]-
- Superlist Name:
- 2-(1-Trityl-1H-tetrazol-5-yl)phenylboronic acid
- CAS No.:
143722-25-2
- Molecular Structure:
![Molecular Structure of 143722-25-2 (Boronic acid,B-[2-[2-(triphenylmethyl)-2H-tetrazol-5-yl]phenyl]-)](http://www.lookchem.com/300w/2010/0629/143722-25-2.jpg)
- Formula:
- C26H21BN4O2
- Molecular Weight:
- 432.28
- Synonyms:
- Boronicacid, [2-[2-(triphenylmethyl)-2H-tetrazol-5-yl]phenyl]- (9CI);[2-[2-(Triphenylmethyl)-2H-tetrazol-5-yl]phenyl]boronic acid;Boronic acid, B-[2-[2-(triphenylmethyl)-2H-tetrazol-5-yl]phenyl]-;2-2-(Triphenylmethyl)-2H-tetrazol-5-ylphenylboronic acid;
- Density:
- 1.208 g/cm3
- Boiling Point:
- 685.156 °C at 760 mmHg
- Flash Point:
- 368.169 °C
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Specification
The 2-(1-Trityl-1H-tetrazol-5-yl)phenylboronic acid with CAS registry number of 143722-25-2 is also known as Boronicacid, [2-[2-(triphenylmethyl)-2H-tetrazol-5-yl]phenyl]- (9CI). The IUPAC name is [2-[2-(2-Benzhydrylphenyl)tetrazol-5-yl]phenyl]boronic acid. In addition, the formula is C26H21BN4O2 and the molecular weight is 432.28.
Physical properties about 2-(1-Trityl-1H-tetrazol-5-yl)phenylboronic acid are: (1)ACD/LogP: 5.85; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 6; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 84.06Å2; (7)Index of Refraction: 1.645; (8)Molar Refractivity: 129.819 cm3; (9)Molar Volume: 357.979 cm3; (10)Polarizability: 51.464×10-24cm3; (11)Surface Tension: 50.921 dyne/cm; (12)Density: 1.208 g/cm3; (13)Flash Point: 368.169 °C; (14)Enthalpy of Vaporization: 105.533 kJ/mol; (15)Boiling Point: 685.156 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: B(C1=CC=CC=C1C2=NN(N=N2)C3=CC=CC=C3C(C4=CC=CC=C4)C5=CC=CC=C5)(O)O
2. InChI: InChI=1S/C26H21BN4O2/c32-27(33)23-17-9-7-15-21(23)26-28-30-31(29-26)24-
18-10-8-16-22(24)25(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-18,25,32-33H
3. InChIKey: YLBJFAGHPKVRIW-UHFFFAOYSA-N
