CAS 992-04-1 Hexaphenylbenzene - Materials / Alfa Chemistry

NAVIGATION

Hexaphenylbenzene

PRICE INQUIRY

Catalog Number

ACM992041-1

CAS Number

992-04-1

Product Name

Hexaphenylbenzene

Category

Small Molecule Semiconductor Building Blocks; Carbon Nanomaterials; Dendrimer Building Blocks

IUPAC Name

1,2,3,4,5,6-hexakis-phenylbenzene

Molecular Weight

534.7g/mol

Molecular Formula

C42H30

Canonical SMILES

C1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C42H30/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42(36-29-17-6-18-30-36)41(35-27-15-5-16-28-35)39(37)33-23-11-3-12-24-33/h1-30H

InChI Key

QBHWPVJPWQGYDS-UHFFFAOYSA-N

Application

Hexaphenylbenzene, appearing as a white to off-tan powder, serves as a versatile compound crucial in various advanced applications. Its primary purpose includes the preparation of fluorescent nanorods, specifically designed for the detection of trinitrotoluene (TNT). Moreover, it acts as a foundational building block in the synthesis of complex chemical structures. These include 1,2,3,4,5,6-hexacyclohexylcyclohexane through a Pd/C catalyzed hydrogenation reaction, and stable hexatrityl cations, which are essential for creating porous organic polymers used in catalysis and gas storage. Additionally, Hexaphenylbenzene facilitates the production of hexa-peri-hexabenzocoronene via a one-pot substitution and oxidative cyclodehydrogenation reaction involving t-BuCl/FeCl3, and serves as a structural unit for synthesizing polymers with intrinsic microporosity.

Complexity

579

Covalently-Bonded Unit Count

EC Number

213-591-7

Exact Mass

534.234751g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

534.234751g/mol

NSC Number