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Benzeneacetonitrile, also known as α-butyl-α-phenyl-, is an organic compound with the chemical formula C12H13N. It is a colorless liquid with a density of 0.96 g/cm3 and a boiling point of 285°C. Benzeneacetonitrile, a-butyl-a-phenyl- is characterized by the presence of a benzene ring attached to an acetonitrile group, with an additional butyl chain connected to the α-carbon of the acetonitrile. Benzeneacetonitrile is used as a chemical intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other specialty chemicals. Due to its reactive nature, it is essential to handle Benzeneacetonitrile, a-butyl-a-phenyl- with care, following proper safety protocols.

5558-94-1

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5558-94-1 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5558-94-1 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,5,5 and 8 respectively; the second part has 2 digits, 9 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 5558-94:
(6*5)+(5*5)+(4*5)+(3*8)+(2*9)+(1*4)=121
121 % 10 = 1
So 5558-94-1 is a valid CAS Registry Number.

5558-94-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,1-diphenyl-1-cyanopentane

1.2 Other means of identification

Product number -
Other names 2,2-diphenylhexanenitrile

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:5558-94-1 SDS

5558-94-1Relevant academic research and scientific papers

An Iodine-Catalyzed Hofmann-L?ffler Reaction

Martínez, Claudio,Mu?iz, Kilian

, p. 8287 - 8291 (2015)

Iodine reagents have been identified as economically and ecologically benign alternatives to transition metals, although their application as molecular catalysts in challenging C-H oxidation reactions has remained elusive. An attractive iodine oxidation catalysis is now shown to promote the convenient conversion of carbon-hydrogen bonds into carbon-nitrogen bonds with unprecedented complete selectivity. The reaction proceeds by two interlocked catalytic cycles comprising a radical chain reaction, which is initiated by visible light as energy source. This unorthodox synthetic strategy for the direct oxidative amination of alkyl groups has no biosynthetic precedence and provides an efficient and straightforward access to a general class of saturated nitrogenated heterocycles.

Molecular Modification of Anticholinergics as Probes for Muscarinic Receptors. Amino Esters of α-Substituted Phenylacetic Acid and Related Analogues

Lu, Mattias C.,Wung, Walley E.,Shih, Lisa B.,Callejas, Soledad,Gearien, James E.,Thompson, Emmanuel B.

, p. 273 - 278 (2007/10/02)

Two series of compounds having the general structure of C6H5CRR'COOCH2CH2NEt2 were synthesized and examined for their antispasmodic activities.These compounds were selected as structural probes for exploring the nature of muscarinic cholinergic receptor binding sites that interact with atropine-like anticholinergics.These studies indicate a rather strict size limitation for the hydrophobic region of the receptor and suggest intramolecular hydrogen bonding as a possible means to explain the observed stereoselectivity.

REACTIVITY OF CARBANIONS. XII. REACTION OF ALKALINE SALTS OF TRIARYLMETHANES WITH 1-BROMOBUTANE

Solov'yanov, A. A.,Karpyuk, A. D.,Beletskaya, I. P.,Reutov, O. A.

, p. 1188 - 1193 (2007/10/02)

The lithium and cesium salts of tri(p-anisyl)methane, diphenyl(2-pyridyl)methane, diphenyl(4-pyridyl)methane, and diphenylacetonitrile in dimethoxyethane exist as an equilibrium mixture of ion pairs, predominantly of the contact pair type, and free ions.Relative to the alkylation of these alkaline salts by 1-bromobutane, the reactivity of the carbanions (ki) increases in the series: diphenylcyanomethyl .The reactivity of the carbanions is from one to three orders of magnitude greater than the rectivity of the ion pairs depending on the structure of the carbanion and cation size.

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