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70484-01-4

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70484-01-4 Usage

Uses

4-Bromophthalonitrile is formed from the oxidative ammonolysis of 4-bromo-o-xylene.

Check Digit Verification of cas no

The CAS Registry Mumber 70484-01-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,0,4,8 and 4 respectively; the second part has 2 digits, 0 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 70484-01:
(7*7)+(6*0)+(5*4)+(4*8)+(3*4)+(2*0)+(1*1)=114
114 % 10 = 4
So 70484-01-4 is a valid CAS Registry Number.
InChI:InChI=1/C8H3BrN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H

70484-01-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Bromophthalonitrile

1.2 Other means of identification

Product number -
Other names 4-bromobenzene-1,2-dicarbonitrile

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:70484-01-4 SDS

70484-01-4Relevant articles and documents

Dye-sensitized solar cell and photoelectric conversion element and a phthalocyanine pigment used phthalocyanine dye

-

, (2017/06/02)

PROBLEM TO BE SOLVED: To provide a novel dye broad in the absorption wavelength range in the near infrared region and good in the phtoelectric conversion efficiency, and a photoelectric conversion device and a dye-sensitized solar cell using the same.SOLU

Kinetics of oxidative ammonolysis of 4-bromo-o-xylene: V. Synthesis of 4-bromophthalonitrile

Bagirzade,Tagiev

, p. 1085 - 1090 (2014/08/05)

Oxidative ammonolysis of 4-bromo-o-xylene on a V-Sb-Bi-Zr/γ-Al 2O3 catalyst gives 74.82 mol % of 4-bromophthalonitrile at a high conversion of the starting xylene in a one-cycle process. The process with recirculation results in decreased number of by-products and contribution of deep oxidation and increased selectivity in 4-bromophthalonitrile up to 95.42-96.58%.

Kinetics of oxidative ammonolysis of 4-bromo-o-xylene: III. Conversion of 4-bromo-o-tolunitrile as a substrate

Bagirzade

, p. 492 - 495 (2013/08/23)

Kinetics of oxidative ammonolysis of 4-bromo-o-tolunitrile on V-Sb-Bi-Zr/γ-Al2O3-oxide catalyst in the temperature range 633-673 K were studied. We found that the rate of conversion of 4-bromo-o-tolunitrile to the target 4-bromphthalonitrile and CO2 was described by the half-order equation with respect to the substrate concentration and was independent of the partial pressures of oxygen and ammonia. The byproducts are 4-bromophthalimide formed through the hydrolysis of 4-bromophthalonitrile, CO2 produced by oxidation of 4-bromo-o-tolunitrile and decarboxylation of 4-bromophthalimide, and 4-brombenzonitrile produced from 4-bromo-o-tolunitrile and 4-bromophthalimide.

Kinetics of oxidative ammonolysis of 4-bromo-o-xylene: II. Formation of by-products

Bagirzade

scheme or table, p. 1779 - 1785 (2011/02/23)

Kinetic laws of formation and expenditure of by-products in the oxidative ammonolysis of 4-bromo-o-xylene in the temperature range 633-693 K were studied. It was shown that 4-bromophthalimide formation at high concentration of ammonia occurs through hydrolysis of 4-bromophthalonitrile; carbon dioxide forms by oxidation of 4-bromo-o-xylene and decarboxylation of 4-bromophthalimide; 4-bromobenzonitrile originates from 4-bromo-o-tolunitrile and 4-bromophthalimide. At low concentration of ammonia additional formation routes of 4-bromophthalimide and CO2 from 4-bromo-o-xylene are realized.

Kinetics of oxidative ammonolysis of 4-bromo-o-xylene: I. Transformations of 4-bromo-o-xylene and 4-bromo-o-tolunitrile

Bagirzade

experimental part, p. 1672 - 1676 (2011/02/18)

Kinetic laws of 4-bromo-phthalonitrile synthesis by vapor-phase oxidative ammonolisis of 4- bromo-o-xylene in the range of 633-69 K were studied. It was shown that formation of 4-bromophthalonitrile proceeds successively through 4-bromo-o-tolunitrile. Conversion rates of 4-bromo-o-xylene and 4-bromo-o- toluinitrile were found to be described by half-order equations on the corresponding components and not to depend on the oxygen and ammonia concentrations. Pleiades Publishing, Ltd., 2010.

PHTHALOCYANINE COMPOUND

-

Page/Page column 23, (2010/08/07)

Disclosed is a phthalocyanine compound characterized by being represented by the formula (1) below. This phthalocyanine compound has good affinity to titania, and is suitably used for an organic thin film of an organic solar cell and the like. [In the formula, M represents a hydrogen atom or a central metal; Z1 and Z2 independently represent a hydroxy group, an alkoxy group having 1 to 18 carbon atoms or a phenyl group; and Ar represents at least one aryl group selected from those represented by the following formulae (2) to (12). (In the formulae (2) to (12), R1 to R103 independently represent a hydrogen atom, a halogen atom, a hydroxy group, an amino group, a silanol group, a thiol group, a carboxyl group, a phosphoric acid group, a phosphate group, an ester group, a thioester group, an amide group, a nitro group, a monovalent hydrocarbon group, an organoxy group, an organoamino group, an organosilyl group, an organothio group, an acyl group or a sulfone group.)]

ANDROGEN RECEPTOR ANTAGONISTS

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Page 33, (2010/02/08)

The present invention provides an androgen receptor antagonistic agent and a superior prophylactic or therapeutic agent for hormone-sensitive cancer, which contain a compound of the formula: wherein, R1 is a hydrogen atom, a group binding through a carbon atom, a group binding through a nitrogen atom, a group binding through an oxygen atom or a group binding through a sulfur atom; R2 is a hydrogen atom, a group binding through a carbon atom, a group binding through a nitrogen atom, a group binding through an oxygen atom or a group binding through a sulfur atom, R3 is a hydrogen atom, a hydrocarbon group which may have substituent (s) , an acyl group or a heterocyclic group which may have substituent(s), R4 is a hydrogen atom, a group binding through a carbon atom, a group binding through a nitrogen atom, a group binding through an oxygen atom or a group binding through a sulfur atom, and R5 is a cyclic group which may have substituent(s); or a salt thereof, or its prodrug.

Tetrakis(diethyl phosphonate), Tetrakis(ethyl phenylphosphinate)-, and Tetrakis(diphenylphosphine oxide)-Substituted Phthalocyanines

Maerkl, Gottfried,Gschwendner, Karl,Roetzer, Ingrid,Kreitmeier, Peter

, p. 825 - 844 (2007/10/03)

The title compounds 7,9, and 11 are obtained by tetramerization of diethyl (3,4-dicyanophenyl)phosphonate (5), ethyl (3,4-dicyanophenyl)phenylphosphinate (8), and 4-(diphenylphosphinyl)benzene-1,2-dicarbonitrile (10). The 31P-NMR spectra of the phthalocyanines 7,9, and 11 and of their metal complexes present five to eight signals confirming the formation of four constitutional isomers with the expected C4h, D2h, C 2v, and Cs symmetry. In the FAB-MS of the Zn, Cu, and Ni complexes of 7 and 9, the peaks of dimeric phthalocyanines are observed. By gel-permeation chromatography, the monomeric complex [Ni(7)] and a dimer [Ni(7)]2 can be separated. These dimers differ from the known phthalocyanine dimers, i.e., possibly the P(O)(OEt)2 and P(O)(Ph)(OEt) substituents in 7 and 9 are involved in complexation. The free phosphonic acid complex [Zn(12)] and [Cu(12)] are H2O-soluble. In the FAB-MS of [Zn(12)], only the peaks of the dimer are present; the ESI-MS confirms the existence of the dimer and the metal-free dimer. In the UV/VIS spectrum of [Zn(12)], the hypsochromic shift characteristic for the known type of dimers from 660-700 nm to 620-640 nm is observed. As in the FAB-MS of [Zn(12)], the free phosphinic acid complex [Zn(13)] shows only the monomer, an ESI-MS cannot be obtained for solubility problems. The UV/VIS spectrum of [Zn(13)] demonstrates the existence of the monomer as well as of the dimer.

Vibrational spectra of halophthalonitriles

Halls, Mathew D.,Aroca, Ricardo,Terekhov, Dmitri S.,D'Ascanio, Anna,Leznoff, Clifford C.

, p. 305 - 317 (2007/10/03)

The fundamental vibrational modes of a series of six halophthalonitriles have been studied using Raman and infrared spectroscopy. The vibrational assignment of experimental wave numbers obtained from solid samples was aided using quantum chemical computations. Semi-empirical methods and the local SVWN functional were used to obtain vibrational wave numbers and atomic displacement representations of the fundamental molecular vibrations. The study of a series of molecules with similar structure permits the identification of characteristic wave numbers and the effect of the halosubstitution in the molecular structure.

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