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4-n-Propoxyphenylacetylene is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

39604-97-2

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39604-97-2 Usage

Chemical Properties

Pale yellow liquid

Check Digit Verification of cas no

The CAS Registry Mumber 39604-97-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,9,6,0 and 4 respectively; the second part has 2 digits, 9 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 39604-97:
(7*3)+(6*9)+(5*6)+(4*0)+(3*4)+(2*9)+(1*7)=142
142 % 10 = 2
So 39604-97-2 is a valid CAS Registry Number.
InChI:InChI=1/C11H12O/c1-3-9-12-11-7-5-10(4-2)6-8-11/h2,5-8H,3,9H2,1H3

39604-97-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-Ethynyl-4-propoxybenzene

1.2 Other means of identification

Product number -
Other names 4-n-Propoxyphenylacetylene

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:39604-97-2 SDS

39604-97-2Relevant academic research and scientific papers

Preparation and properties of high birefringence phenylacetylene isothiocyanato-based blend liquid crystals

He, Zemin,Wang, Haiyang,Zhang, Huimin,Zhang, Yongming,Zhao, Yang,Zhao, Yuzhen

, (2022/04/03)

A series of compounds of with high birefringence containing alkoxy–phenylacetylene–isothiocyanato structure were synthesized and characterized. The chemical structures of these compounds were confirmed by FT-IR and 1H-NMR, and transition temperatures and birefringence were measured. One of these compounds with good liquid crystal property and high birefringence was mixed with host liquid crystal to form blend liquid crystal. The effects of the concentration of the compound on phase temperature range, birefringence, resistivity, dielectric anisotropy and photoelectric properties were discussed. The results showed that blend liquid crystal (with 7 wt% compound) exhibited excellent comprehensive performance.

Competition between π-π And C-H/π Interactions: A Comparison of the Structural and Electronic Properties of Alkoxy-Substituted 1,8-Bis((propyloxyphenyl)ethynyl)naphthalenes

Carson, Bradley E.,Parker, Trent M.,Hohenstein, Edward G.,Brizius, Glen L.,Komorner, Whitney,King, Rollin A.,Collard, David M.,Sherrill, C. David

supporting information, p. 19168 - 19175 (2016/01/26)

The structural and electronic consequences of π-π and C-H/π interactions in two alkoxy-substituted 1,8-bis- ((propyloxyphenyl)ethynyl)naphthalenes are explored by using X-ray crystallography and electronic structure computations. The crystal structure of analogue 4, bearing an alkoxy side chain in the 4-position of each of the phenyl rings, adopts a π-stacked geometry, whereas analogue 8, bearing alkoxy groups at both the 2- and the 5-positions of each ring, has a geometry in which the rings are splayed away from a π-stacked arrangement. Symmetry-adapted perturbation theory analysis was performed on the two analogues to evaluate the interactions between the phenylethynyl arms in each molecule in terms of electrostatic, steric, polarization, and London dispersion components. The computations support the expectation that the π-stacked geometry of the alkoxyphenyl units in 4 is simply a consequence of maximizing π-π interactions. However, the splayed geometry of 8 results from a more subtle competition between different noncovalent interactions: this geometry provides a favorable anti-alignment of C-O bond dipoles, and two C-H/π interactions in which hydrogen atoms of the alkyl side chains interact favorably with the π electrons of the other phenyl ring. These favorable interactions overcome competing π-π interactions to give rise to a geometry in which the phenylethynyl substituents are in an offset, unstacked arrangement.

Synthesis of diphenyl-diacetylene-based nematic liquid crystals and their high birefringence properties

Arakawa, Yuki,Nakajima, Shunpei,Ishige, Ryohei,Uchimura, Makoto,Kang, Sungmin,Konishi, Gen-Ichi,Watanabe, Junji

supporting information; experimental part, p. 8394 - 8398 (2012/07/28)

We synthesized two series of diphenyl-diacetylene (DPDA)-based materials with alkoxy and alkyl tails of length m (DPDA-OCm and DPDA-Cm, respectively), and measured their nematic-phase birefringence (Δn) as a function of wavelength and temperature. We found that Δn decreases with an increase in m, possibly by a dilution effect of the low-Δn alkyl tail. Further, of the two series, Δn was found to be relatively higher in the DPDA-OCm materials, with the highest value of 0.4 obtained for DPDA-OC1 at 550 nm at 10 °C below the isotropic-to-nematic transition temperature. Further, we observed the temperature dependence for Δn, which is proportional to the order parameter (s). From extrapolation to s = 1 (the perfect orientation state), it is speculated that the DPDA-O moiety has the potential to afford a very large Δn of 0.9. The Royal Society of Chemistry 2012.

High birefringence nematic liquid crystals for display and telecom applications

Catanescu, Carmen Otilia,Chien,Wu, Shin-Tson

, p. 93/[1135]-102/[1144] (2007/10/03)

Several compounds with high birefringence and, having tolane structure were synthesized. For a high polarizability, isothiocyanato (NCS) terminal group was introduced. Another goal of this study was reduction of melting point and smectic phases by introduction of fluorine as lateral substituent. The transition temperatures for all the synthesized compounds and the refractive and dielectric indices for one of the compounds have been determined. Electro-optic (EO) measurements were also performed.

Optically active compound and photosensitive resin composition

-

, (2008/06/13)

A photoactive compound is used in combination with a photosensitizer, represented by the following formula (1): A?[(J)m?(X-Pro)]n ??(1) wherein A represents a hydrophobic unit comprising at least one kind of hydrophobic groups selected from a hydrocarbon group and a heterocyclic group, J represents a connecting group, X-Pro represents a hydrophilic group protected by a protective group Pro which is removable by light exposure, m represents 0 or 1, and n represents an integer of not less than 1. The protective group Pro may be removable by light exposure in association with the photosensitizer (especially, a photo acid generator), or may be a hydrophobic protective group. The hydrophilic group may be a hydroxyl group or a carboxyl group. The photoactive compound has high sensitivity to a light source of short wavelength beams, for resist application, therefore, the photoactive compound is advantageously used for forming a pattern with high resolution.

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