Skip to Content
Merck
All Photos(1)

Key Documents

View All Documentation

149454

Sigma-Aldrich

Hexaphenylbenzene

98%

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
C6(C6H5)6
CAS Number:
992-04-1
Molecular Weight:
534.69
EC Number:
213-591-7
MDL number:
MFCD00003057
UNSPSC Code:
12352100
PubChem Substance ID:
24848955
NACRES:
NA.22

Quality Level

100

Assay

98%

form

solid

mp

>300 °C (lit.)

functional group

phenyl

SMILES string

c1ccc(cc1)-c2c(-c3ccccc3)c(-c4ccccc4)c(-c5ccccc5)c(-c6ccccc6)c2-c7ccccc7

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 can be used as a starting material to synthesize:
  • 1,2,3,4,5,6-Hexacyclohexylcyclohexane by Pd/C catalyzed hydrogenation reaction.
  • Stable hexatrityl cations and porous organic polymers for applications in catalysis and gas storage.
  • Hexa-peri-hexabenzocoronene via one-pot substitution and oxidative cyclodehydrogenation reaction in the presence of t-BuCl/FeCl3.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MKCW5658
MKCQ5159
MKCK7762
MKBZ1312V
MKBR8541V

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

From Hexaphenylbenzene to 1,2,3,4,5,6-Hexacyclohexylcyclohexane
Dillenburger M, et al.
Journal of the American Chemical Society, 142(30), 12916-12920 (2020)
Porous organic polymers based on propeller-like hexaphenylbenzene building units
Chen Q, et al.
Macromolecules, 44(14), 5573-5577 (2011)
Synthesis and isolation of polytrityl cations by utilizing hexaphenylbenzene and tetraphenylmethane scaffolds
Rathore R, et al.
The Journal of Organic Chemistry, 69(5), 1524-1530 (2004)
Vandana Bhalla et al.
Chemical communications (Cambridge, England), 49(9), 895-897 (2012-12-19)
Fluorescent nanorods formed by self-assembly of hexaphenylbenzene derivative in the presence of cyanide ions serve as a sensitive colorimetric and fluorogenic sensor for the detection of trinitrotoluene (TNT) at the attogram (10(-18) g) level with a detection limit of 10.21
Yan-Fang Jing et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 238, 118443-118443 (2020-05-14)
A series of fluorescent coordination polymers (CPs) {[Cd2(CH3-bpeb)2(BDC)2] CP1, (BDC)0.5/(NH2-BDC)0.5-CP1, (BDC)0.34/(NH2-BDC)0.66-CP1, (BDC)0.25/(NH2-BDC)0.75-CP1, (BDC)0.2/(NH2-BDC)0.8-CP1, (NH2-BDC)-CP1} were prepared from conjugated ligand 4,4'-((2-methyl-1,4-phenylene)bis(ethene-2,1-diyl))bipyridine (CH3-bpeb), terephthalic acid (BDC), aminoterephthalic acid (NH2-BDC) and CdSO4 under solvothermal conditions. The fluorescence of aqueous suspensions of these CPs
View All Related Papers

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service