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"Benzene, 1,1',1''-(2-propynylidyne)tris-" is a chemical compound with the molecular formula C15H12. It is a derivative of benzene, where three 2-propynyl groups are attached to the benzene ring through a triple bond. Benzene, 1,1',1''-(2-propynylidyne)tris- is also known as tri(prop-2-ynyl)benzene or 1,3,5-tri(prop-2-ynyl)benzene. It is an organic compound with a symmetrical structure, featuring a central benzene ring and three propynyl groups extending outwards. This molecule is of interest in organic chemistry and materials science due to its unique structure and potential applications in the synthesis of advanced materials.

6104-51-4

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6104-51-4 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 6104-51-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,1,0 and 4 respectively; the second part has 2 digits, 5 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 6104-51:
(6*6)+(5*1)+(4*0)+(3*4)+(2*5)+(1*1)=64
64 % 10 = 4
So 6104-51-4 is a valid CAS Registry Number.

6104-51-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,1-diphenylprop-2-ynylbenzene

1.2 Other means of identification

Product number -
Other names 1,1,1-triphenylpropyne

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:6104-51-4 SDS

6104-51-4Relevant academic research and scientific papers

Crystalline Monomeric Allenyl/Propargyl Radical

Hansmann, Max M.,Melaimi, Mohand,Bertrand, Guy

, p. 15620 - 15623 (2017)

Reduction of alkynyl iminium salts derived from cyclic (alkyl)(amino)carbenes (CAACs) affords propargyl/allenyl radicals. Depending on the nature of the CAAC and alkyne substituents, these radicals can irreversibly dimerize, exist as monomers in solution

Molecular "compasses" and "gyroscopes". I. Expedient synthesis and solid state dynamics of an open rotor with a bis(triarylmethyl) frame

Dominguez, Zaira,Dang, Hung,Strouse, M. Jane,Garcia-Garibay, Miguel A.

, p. 2398 - 2399 (2002)

We describe our efforts toward the preparation of materials built with molecules possessing topologies analogous to those of macroscopic compasses and gyroscopes. Samples of 1,4-bis(3,3,3-triphenylpropynyl)benzene (3) were prepared by a simple two-step pr

Crystals and aggregates of a molecular tetrarotor with multiple trityl embraces derived from tetraphenyladamantane

Stopin, Antoine,Garcia-Garibay, Miguel A.

scheme or table, p. 3792 - 3798 (2012/10/18)

Samples of tetrakis-1,3,5,7-(4′-(3″,3″,3″- triphenylpropynyl)-phenylene)adamantane and its trityl-deuterated isotopologue were synthesized and their crystallization and packing properties were analyzed within the context of formation of 4- or 6-fold phenyl embraces. The tetrahedral shape of these molecules with four propeller-like triphenylmethyl moieties generates several edge-to-face intermolecular interactions in the solid state that result in the formation of infinite chains of molecules that are tightly interlocked. The formation of analogous edge-to-face intermolecular interactions leading to aggregation in solution was also suggested by NMR experiments carried out in different solvents as a function of concentration. The formation of interdigitated chains was also manifested in fibrils and thin needles, which were documented by scanning electron microscopy (SEM). Single crystal X-ray diffraction studies revealed the presence of multiple 4-fold phenyl embraces and edge-to-face interactions as the leading motifs behind the formation of tightly interlocked molecular chains.

Synthesis, characterization, and rotational dynamics of crystalline molecular compasses with N-heterocyclic rotators

Rodriguez-Molina, Braulio,Ochoa, Ma. Eugenia,Farfan, Norberto,Santillan, Rosa,Garcia-Garibay, Miguel A.

supporting information; experimental part, p. 8554 - 8565 (2010/02/28)

(Figure Presented) We describe in this paper the synthesis, crystallization, and solid-state NMR dynamics of molecules intended to emulate the structure and function of macroscopic compasses. The desired structures consist of polar pyridine (2) and pyrida

Effects of rotational symmetry order on the solid state dynamics of phenylene and diamantane rotators

Karlen, Steven D.,Ortiz, Rafael,Chapman, Orville L.,Garcia-Garibay, Miguel A.

, p. 6554 - 6555 (2007/10/03)

The rotational dynamics of phenylene and diamantane rotators in crystals of 1,9-bis(4-[3,3,3-triphenylpropynyl]phenyl)diamantane were analyzed independently within the same crystal structure. The dynamics of phenylene rotation were established by dynamic line shape analysis using 13C CPMAS NMR. The phenylene signals were selectively highlighted by deuteration of the aromatic trityls and the use of short contact times for cross polarization. The dynamics of the diamantane group were established by 1H spin-lattice relaxation under conditions where dipolar relaxation was shown to be the dominant mechanism between 250 and 425 K. A factor of 20000 between the rates of rotation of the faster diamantane and the slower phenylene at 300 K supports expectations that higher symmetry rotors should have significantly faster dynamics. Copyright

Molecular "compasses" and "gyroscopes." III. Dynamics of a phenylene rotor and clathrated benzene in a slipping-gear crystal lattice

Dominguez, Zaira,Dang, Hung,Strouse, M. Jane,Garcia-Garibay, Miguel A.

, p. 7719 - 7727 (2007/10/03)

Samples of 1,4-bis(3,3,3-triphenylpropynyl)benzene 3 were prepared by Pd(0)-catalyzed coupling of 3,3,3-triphenylpropyne (1) and 1,4-diiodobenzene. The structure of compound 3 is such that the central phenylene can play the role of a gyroscope wheel, whil

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