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Sigma-Aldrich

Hexaphenylbenzene

98%

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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.)

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

Related Categories

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.

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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
A Practical One-Pot Synthesis of Soluble Hexa-peri-hexabenzocoronene and Isolation of Its Cation-Radical Salt
Rathore R and Burns CL
J. Org. React., 68(10), 4071-4074 (2003)
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