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View the Full Spectrum for FREE! The full spectrum can only be viewed using a FREE account. The peak data of estimated IR spectra is conveniently visualized with the web-based graphical user interface. Mol-Instincts and ChemRTP have been cited a number of times in high-impact scientific journals including but not limited to NATURE, ELSEVIER, Springer, ACS (American Chemical Society), RSC (Royal Society of Chemistry), Wiley, etc. Molecular Weight 117.15 . PubChem Substance ID 24891621. Prices and delivery dates may fluctuate. The IR spectrum of α-styryl azide is shown in Fig. 3,5-Bis(trifluoromethyl)phenylacetonitrile, 2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile, Benzyl Cyanide, 98 Percent (DEA List I Chemical), also known as phenylacetonitrile or alpha-Tolunitrile, is an organic compound used as a precursor to several compounds in organic chemistry. EC Number 205-410-5. BENZYL NITRILE SpectraBase Spectrum ID: 7M3ZPnEt6bx: SpectraBase Batch ID: HWo5n9ewOOA: Name: PHENYLACETONITRILE: Boiling Point: 234C: CAS Registry Number: 140-29-4: Copyright: Copyright © … To view the Lot Numbers you have recently purchased, please, Please provide details to download documents. endstream endobj startxref MDL number MFCD00001894. Antimicrobials & Antitumors for Research and Experimental Use, Charge Transfer Complexes for Organic Metals, Enantiomer Excess & Absolute Configuration Determination, Fluorinating Reagents, Building Blocks & Fluorinated Bioactive Compounds, Monofunctional & alpha,omega-Bifunctional Alkanes, Nucleosides, Nucleotides & Related Reagents, Reagents for Research of Nitric Oxide & Related Species, Titrants and Normalized Chemical Solutions, USP Test Solution Concentrates and Volumetric Solutions, Lab Centrifuges, Stirrers, Shakers and Vortexers, Conductivity Meters & Calibration Solutions, Polymerase Chain Reaction (PCR) Analysis Equipment, Inline Filtration Devices & Filter Capsules, Affinity Chromatography Columns and Accessories, Gas Chromatography Columns and Accessories, Liquid Chromatography Supplies and Accessories, Flash Chromatography Columns and Supplies, Benzyl Cyanide, 98 Percent (DEA List I Chemical). shipments or dIrect shipped items from Spectrum vendors or Summarized Raw Data of Quantum Mechanical Calculation Results (Free), Molecular Descriptors of 2,004 values in 24 Categories (Free), Mol-Instincts and ChemRTP have been cited, InChI=1S/C20H15N/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H, Heat of Vaporization at Normal Boiling Point, LogP (Octanol-Water Partition Coefficient), Ghose-Crippen Octanol-Water Partition Coefficient (logP), Moriguchi Octanol-Water Partition Coefficient (logP), Activity Score for Ion Channel Modulators, Activity Score for Nuclear Receptor Ligands, Molecular Orbital Analysis in Addition to HOMO & LUMO, Normal Mode Vibrational Analysis with Animation, 3D Visualization and Analysis with Zooming and Rotation Features. 103 0 obj <>/Encrypt 86 0 R/Filter/FlateDecode/ID[<468B8F8ADE9A291458164DAE77659466><58D34333883C804BB8824E8B97C8BB2D>]/Index[85 31]/Info 84 0 R/Length 93/Prev 285331/Root 87 0 R/Size 116/Type/XRef/W[1 3 1]>>stream The IR data may be saved as a JDX (JCAMP Chemical Spectroscopic Data Exchange Format) file. The contents of this page can freely be shared if cited as follows: %%EOF Pallet), Pallet Charge (Plastic SpectraBase Compound ID=IIvwXzLRDGz The table lists the vibrational frequencies and IR intensities. Select one from the 20 sample substances and click the “Spectra Data > IR Spectra” in the middle of the page to view the IR spectra data. Copyright © 2020 Elsevier B.V. or its licensors or contributors. A list with that name already exists. United States. Click the “Buy Now” button below and follow the instruction on the screen. The carbanionic center is practically planar; the cyano group carries a considerable negative charge, but its influence on the carbanionic center is mainly inductive. 0 2-phenylacetonitrile | Infrared (IR), Vibrational Circular Dichroism VCD), Nuclear Magnetic Resonance (NMR) Spectra - C NMR, H NMR, N NMR, O NMR, S NMR View the Full Spectrum for FREE! NIOSH= AM14000. All rights reserved. The structures of both sodium and potassium derivatives of phenylacetonitrile in dimethyl sulfoxide are close to that of the kinetically free phenylacetonitrile carbanion. Please hyperlink "Mol-Instincts" to www.molinstincts.com. We use cookies to help provide and enhance our service and tailor content and ads. Source: Mol-Instincts Chemical Database, Predicted on Quantum. We'll reply to you soon. The IR spectra processing engine has been developed as a part of Mol-Instincts platform to process dozens of millions of chemical substances at a time on an automatic basis. Mol-Instincts is a fundamental chemical database powered by 41 patented technologies founded on quantum mechanics, statistical thermodynamics, QSPR (Quantitative Structure-Property Relationship), and an artificial neural network based AI (Artificial Intelligence). Note that all data and information presented on these webpages rely on Mol-Instincts or ChemRTP platforms. Send us your question, comments, or substances you need The following data and information on triphenylacetonitrile are additionally available for purchase from our Mol-Instincts chemical database. Not included are any expedited or LTL This item is a DEA LIST 1 CHEMICAL + CALIFORNIA DOJ PRECURSOR. 2 115 0 obj <>stream h�bbd```b``v�] �1�� An intelligent social networking platform for chemical experts to exchange chemical information, technologies, research articles, news, and more. Your Request For Quotation has been forwarded to Spectrum's chemical manufacturing group for evaluation and pricing. The chart is re-scalable with the zoom-in and zoom-out capability, and provides the normalization, scaling factor, as well as full width at half maximum (FWHM), etc. Copyright © 2020 by John Wiley & Sons, Inc., or related companies. Beilstein/REAXYS Number 385941 . The IR spectrum peaks are generated on an automatic basis using frequency analysis of quantum mechanics calculation performed as a part of Mol-Instincts Web-Information Project. Phenylacetonitrile carbanion The IR spectrum of the phenylaceonitrile carbanion (countercations Naor K+) is shown in Fig. Corp. offers a flat fee shipping when Molecular Weight 117.15 . IMPORTANT UPDATE - All sales after March 2, 2020 are final and non-returnable for COVID-19 related items. If the information still cannot be found, contact our Certificate of Analysis department at COFA@SpectrumChemical.com or call 800-772-8786 and select Option 6 then Option 2 and then Option 1. For example a sharp band around 2200-2400 cm-1 would indicate the possible presence of a … The FT-IR spectrum of the compound has been recorded using Perkin-Elimer 180 spectrometer in the range of 4000–400 cm−1. There are some additional charges that are item Not included are any expedited or LTL The anticipated amount of data and information to be published is up to 10 billion sets. 2.7. © 2020 ChemEssen, Inc. All rights reserved. endstream endobj 86 0 obj <. We are happy to provide Certificates of Analysis for our chemical products. specific. We are doing our best to compile high quality databases. manufacturers which are charged at published carrier rates. SpectraBase Spectrum ID=KD54EvJxJR1. Synonym: Phenylacetonitrile CAS Number 140-29-4. John Wiley & Sons, Inc. SpectraBase; Please use a different name, or choose one from the list. phenylacetonitrile (2TFMP) is purchased from Sigma-Aldrich chemicals, USA and it was used as such without any further purification. The engine is presently applied to generate the IR spectra available on the web, targeting billions of pure substance IR spectra to be created over the next few years. ... PHENYLACETONITRILE BENZYL CYANIDE BENZYL NITRILE BENZENEACETONITRILE: Technique: NEAT: Vapor Pressure: 1 (60C) TORR Beilstein/REAXYS Number 385941 . MDL number MFCD00001894. For additional information, please contact Customer Service at 800-813-1514 or. As an illustration, a snapshot of the chart of IR spectra for cholesterol is given below: Please refer to the “How Accurate Are They?” in our IR spectra page. Copyright © 1995 Published by Elsevier B.V. https://doi.org/10.1016/0022-2860(94)08441-J. Phenylacetonitrile, liquid appears as a colorless oily liquid with an aromatic odor. Copyright © 1980, 1981-2020 John Wiley & Sons, Inc. All Rights Reserved. The 1 H NMR spectrum of methacrylonitrile was in agreement with the literature . subtotal), Fuel Surcharge (>$400 By continuing to use this site, you agree to the use of cookies. Please Enter or Select a Shopping List Name, Only letters, digits, spaces, "-" and "_" allowed. We make no warranties to those effects and shall not be liable for any damage that may result from errors in the database. Chem., 157 (1992) 6435) of the IR bands of phenylacetonitrile, its d5 analogue, and their carbanions has been confirmed. May be toxic by ingestion. This is a Controlled Substance item, please contact Customer Service at 800-813-1514 or +1-310-516-8000 to purchase. We manufacture and distribute fine chemicals and laboratory products - with quality and delivery you can count on every time.

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