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[ CAS No. 124729-02-8 ] {[proInfo.proName]}

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Chemical Structure| 124729-02-8
Chemical Structure| 124729-02-8
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Brian P. Radka ; Taewoo Lee ; Ivan I. Smalyukh , et al. DOI:

Abstract: Polymer stabilized cholesteric liquid crystals (PSCLCs) are electrically reconfigurable reflective elements. Prior studies have hypothesized and indirectly confirmed that the electro-optic response of these composites is associated with the electrically mediated distortion of the stabilizing polymer network. The proposed mechanism is based on the retention of structural chirality in the polymer stabilizing network, which upon deformation is spatially distorted, which accordingly affects the pitch of the surrounding low molar-mass liquid crystal host. Here, we utilize fluorescent confocal polarized microscopy to directly assess the electro-optic response of PSCLCs. By utilizing dual fluorescent probes, sequential imaging experiments confirm that the periodicity of the polymer stabilizing network matches that of the low molar-mass liquid crystal host. Further, we isolate distinct ion-polymer interactions that manifest in certain photopolymerization conditions.

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Yuan Liu ; Wen-Long Li ; Zhong-Min Li , et al. DOI:

Abstract: Liquid crystal monomers (LCMs) are synthetic organic chemicals widely used in the manufacture of liquid crystal displays (LCDs) of digital electronic devices. As human interactions with digital electronics such as computers and smartphones intensify, exposure to LCMs is a public health concern. Nevertheless, there is limited research on the occurrence of LCMs in biological and non-biological matrices. We developed a method to determine 60 LCMs in electronic-waste panels (i.e., computer monitors), indoor dust, feces, and urine using gas chromatography–mass spectrometry (GC–MS). Solid matrices (i.e., dust and feces) were extracted using a solid-liquid extraction (SLE) procedure whereas liquid matrices (i.e., urine) were extracted using solid phase extraction (SPE). Indoor dust and feces extracts were purified by passage through silica gel packed gravity columns. The method limits of detection (LODs) and quantification (LOQs) were in the ranges of 0.05–13.0 and 0.18–39.1 ng/mL, respectively. Recoveries of all target analytes fortified at concentrations of 10 and 100 ng/mL on LCD panels, dust, feces, and urine were in the range of 71–130%, with standard deviations of 0.01–33%. Repeated analyses of similarly fortified samples yielded intra-day and inter-day variations (CV) of 0.32–12.6% and 0.76–14.3%, respectively. Matrix effects, calculated from fortified matrices, ranged from ?28.5% to 28.5%. The method was applied in the analysis of LCD panels, indoor dust, dog feces and urine, which were found to contain 22, 42, 46, and 18 of the 60 targeted LCMs, respectively. LCMs were found in LCD panels (∑LCM = 1780 ± 165 ng/cm2 for desktop computer monitors; and 166,900 ± 80,100 ng/cm2 for smartphone screens), indoor dust (∑LCM = 2030 ± 1260 ng/g), dog feces (∑LCM = 1990 ± 2000 ng/g dw), and urine (∑LCM = 24.0 ± 14.6 ng/mL). The developed method can be applied in the analysis of LCMs in a wide range of environmental and biological samples.

Keywords: Liquid crystal monomers ; Electronic-waste ; Dust ; Feces ; Urine ; Monitoring

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Product Details of [ 124729-02-8 ]

CAS No. :124729-02-8 MDL No. :MFCD11053401
Formula : C19H28F2O Boiling Point : -
Linear Structure Formula :- InChI Key :RFVOKVIZOOXEPB-UHFFFAOYSA-N
M.W : 310.42 Pubchem ID :17884194
Synonyms :

Calculated chemistry of [ 124729-02-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 22
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.68
Num. rotatable bonds : 7
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 88.58
TPSA : 9.23 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -2.93 cm/s

Lipophilicity

Log Po/w (iLOGP) : 4.34
Log Po/w (XLOGP3) : 7.41
Log Po/w (WLOGP) : 7.06
Log Po/w (MLOGP) : 5.46
Log Po/w (SILICOS-IT) : 6.42
Consensus Log Po/w : 6.14

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 0.0
Egan : 1.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -6.17
Solubility : 0.000209 mg/ml ; 0.000000672 mol/l
Class : Poorly soluble
Log S (Ali) : -7.43
Solubility : 0.0000114 mg/ml ; 0.0000000368 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -6.68
Solubility : 0.0000641 mg/ml ; 0.000000207 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.56

Safety of [ 124729-02-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:
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Technical Information

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