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149454

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
form:
solid
Assay:
98%

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

149454-1G:
149454-VAR:
149454-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCW5658
MKCQ5159
MKCK7762
MKBZ1312V
MKBR8541V

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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
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)
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)
Porous organic polymers based on propeller-like hexaphenylbenzene building units
Chen Q, et al.
Macromolecules, 44(14), 5573-5577 (2011)
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)
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