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

28115-92-6

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28115-92-6 Usage

Synthesis Reference(s)

Synthetic Communications, 20, p. 509, 1990 DOI: 10.1080/00397919008244898

Check Digit Verification of cas no

The CAS Registry Mumber 28115-92-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,8,1,1 and 5 respectively; the second part has 2 digits, 9 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 28115-92:
(7*2)+(6*8)+(5*1)+(4*1)+(3*5)+(2*9)+(1*2)=106
106 % 10 = 6
So 28115-92-6 is a valid CAS Registry Number.
InChI:InChI=1/C8H4N2O3S/c11-8(9-5-14)6-1-3-7(4-2-6)10(12)13/h1-4H

28115-92-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Nitrobenzoyl isothiocyanate

1.2 Other means of identification

Product number -
Other names 4-NITROBENZOYL ISOTHIOCYANATE

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:28115-92-6 SDS

28115-92-6Relevant articles and documents

An efficient synthesis of polymethylene-bis-aroyl thiourea derivatives under the condition of phase transfer catalysis

Wei, Tai-Bao,Zhang, You-Ming,Gao, Li-Ming

, p. 493 - 500 (2000)

Reaction of polymethylene diamine with aroyl chloride and ammonium thiocyanate under the condition of solid-liquid phase transfer catalysis using polyethylene glycol-400(PEG-400) as the catalyst yielded polymethylene- bis-aroyl thiourea derivatives 3a - 3

Synthesis of 1-aryloxyacetyl-4-(4-nitrobenzoyl)-thiosemicarbazides under phase transfer catalysis and microwave irradiation

Li, Zheng,Wang, Xicun

, p. 3087 - 3092 (2002)

The 1-aryloxyacetyl-4-(4-nitrobenzoyl)-thiosemicarbazides (3a-m) are synthesized via reaction of 4-nitrobenzoyl chloride with ammonium thiocyanate and aryloxyacetic acid hydrazides (2a-m) under phase transfer catalysis and microwave irradiation in excelle

Preparation and characterization of copper sulfide nanoparticles from symmetrical [(Bu) 2NC(S)NC(O)C 6H 3(3,5-NO 2) 2] 2Cu(II) and [(Bu) 2NC(S)NC(O)C 6H 4(4-NO 2)] 2Cu(II) complexes by thermolysis

Saeed, Sohail,Hussain, Rizwan

, p. 2942 - 2953 (2014)

Trigonal copper sulfide nanoparticles were synthesized from symmetrical [(Bu)2NC(S)NC(O)C6H3(3,5-NO2)2]2Cu(II) and [(Bu)2NC(S)NC(O)C6H4(4-NO2)]2Cu(II) complexes by thermolysis in the presence of surfactant oleylamine. The symmetrical copper complexes were

Semiconducting nanostructured copper sulfide thin films from bidentate copper(ii) complexes of N-(dialkylcarbamothioyl)-nitrosubstituted benzamides by chemical vapour deposition

Saeed, Sohail,Rashid, Naghmana,Hussain, Rizwan,Malik, Muhammad Azad,O'Brien, Paul,Wong, Wing-Tak

, p. 3214 - 3221 (2013)

Copper(ii) complexes of various N-(dialkylcarbamothioyl)-nitrosubstituted benzamide [dialkyl = di-n-butyl (1a, 2a); hexyl, methyl (3a); butyl, ethyl (4a)] have been synthesized and characterized by elemental analysis, IR spectroscopy and atmospheric pressure chemical ionization-mass spectrometry (MS-APCI). The molecular structure of the complex 2a was determined by single-crystal X-ray diffraction. These complexes were used as single-source precursors for the deposition of copper sulfide thin films by aerosol assisted chemical vapour deposition (AA-CVD) at 350 °C. The powder X-ray diffraction (p-XRD) patterns of the thin films of complexes 3a and 4ashowed the deposition of rhombohedral digenite Cu9S5 phase, and complex 1a deposited monoclinic roxbyite Cu7S4 phase at 350 °C with spherical crystallites. Complex 2a deposited orthorhombic anilite Cu7S 4 phase with spherical crystallites. The degree of roughness of the film surface was determined by atomic force microscopy (AFM). The scanning electron microscopy (SEM) and energy dispersive X-ray analysis (EDXA) results showed the uniform distribution of copper sulfide in the films, which makes them useful semiconducting materials on a structured surface.

N-(4-Nitrobenzoyl)-N′-(1,5-dimethyl-3-oxo-2-phenyl-1H-3(2H) -pyrazolyl)-thiourea hydrate: Synthesis, spectroscopic characterization, X-ray structure and DFT studies

Arslan, N. Burcu,Kazak, Canan,Aydin, Fatma

, p. 30 - 38 (2012)

The title molecule (C19H17N5O 4S·H2O) was synthesized and characterized by IR-NMR spectroscopy, MS and single-crystal X-ray diffraction. The molecular geometry, vibrational frequencies and gauge-independent atomic orbital (GIAO) 1H and 13C NMR chemical shift values of the compound in the ground state have been calculated by using the density functional theory (DFT) method with 6-31G(d) basis set, and compared with the experimental data. All the assignments of the theoretical frequencies were performed by potential energy distributions using VEDA 4 program. The calculated results show that the optimized geometries can well reproduce the crystal structural parameters, and the theoretical vibrational frequencies and 1H and 13C NMR chemical shift values show good agreement with experimental data. To determine conformational flexibility, the molecular energy profile of the title compound was obtained with respect to the selected torsion angle, which was varied from -180°to +180°in steps of 10°. Besides, molecular electrostatic potential (MEP), frontier molecular orbitals (FMO) analysis and thermodynamic properties of the compound were investigated by theoretical calculations.

Synthesis of novel acylthioureas bearing naphthoquinone moiety as dual sensor for high-performance naked-eye colorimetric and fluorescence detection of CN? and F? ions and its application in water and food samples

?ahin, Ertan,Ayd?ner, Burcu,Efeo?lu, ?a?la,Karasu, Elize,Kele?, Ergin,Nural, Yahya,Sefero?lu, Nurgül,Sefero?lu, Zeynel

, (2021/12/20)

In this study, six new acylthiourea, bearing naphthoquinone moiety, sensors were synthesized in high yield (88–96%) and characterized using 1H/13C NMR, FT-IR and HRMS techniques. All synthesized sensors (4a-f) showed shifts in absorb

Synthesis and Investigation of the Antibacterial Activity of New Tris-Thiourea Derivatives

Ghorbani, Saghi Shiroud,Montazeri, Naser,Zeydi, Masoud Mohammadi,Ghane, Masood

, p. 60 - 64 (2021/04/21)

An efficient procedure for the preparation of symmetrical tris-thiourea derivatives (5a – 5h) by means of one-pot condensation reaction between available benzoyl chlorides (1a –1h) with potassium thiocyanate (2) and melamine (4) under reflux conditions is

Synthesis of Novel Tris-1,2,4-triazole Derivatives and Their Antibacterial Activity

Ghane, M.,Ghorbani, S. Shiroud,Montazeri, N.,Zeydi, M. M.

, p. 605 - 610 (2021/06/02)

Abstract: A series of novel 3,3′,3″-[1,3,5-triazine-2,4,6-triyltris(azanediyl)]tris(5-aryl-1H-1,2,4-triazole-1-carbothioamide) derivatives were designed and synthesized through reaction of new tris-thiourea derivatives with thiosemicarbazide and sodium hy

Synthesis, kinetics and biological assay of some novel aryl bis-thioureas: A potential drug candidates for Alzheimer's disease

Abbas, Qamar,Abd-Rabboh, Hisham S. M.,Bahadur, Ali,Channar, Kashif Ali,Channar, Pervaiz Ali,Hassan, Mubashir,Iqbal, Shahid,Khan, Bilal Ahmad,Kim, Jung Min,Lal, Bhajan,Mahesar, Parvez Ali,Nawaz, Muhammad,Rajoka, Muhammad Shahid Riaz,Rashid, S. G.,Raza, Hussain,Saeed, Aamer,Shah, Mazloom,Siyal, Ali Nawaz,Ujan, Rabail

, (2021/08/03)

A new series of bis-thioureas (4a-4j) was synthesized and characterized through spectroscopic and elemental analysis. The synthesized compounds 4a-4j were subjected to acetylcholinesterase enzyme (AChE) inhibition activity and free radical scavenging activity. The results of AChE inhibition assay were found to be active in inhibiting the target enzyme with different IC50 values. Among all derivatives, the 4 g showed highly potent inhibition potential against AChE enzyme with IC50 value of 0.1761±0.00768 μM, which is several times better than the reference inhibitor neostigmine methylsulfate IC50 2.469±0.069 μM. The initial structure-activity relationship (SAR) of 4 g revealed dual hydrogen bonding ability (donor and acceptor). Moreover, the electronic environment around the aromatic ring also greatly influenced the enzyme inhibition of AChE. To further explore the newly synthesized AChE inhibitors, kinetic studies were carried out to determine the mode of inhibition and it was found to be competitive inhibition. Pharmacokinetic predictions (ADMET parameters) were also evaluated and compounds showed good lead-like potential with little hepatotoxic and no skin-sensitive effects. The molecular docking studies delineated the binding affinity of the ligands with target protein and showed docking scores in the range of -10.3 to -7.6 kcal/mol.

Experimental and theoretical investigation of N-(4-Nitrobenzoyl)-S-(2-hydroxyethyl)-carbamodithioate

Arslan, N. Burcu,Ayd?n, Fatma,Kazak, Canan

, p. 1084 - 1092 (2021/08/31)

The title molecule, N-(4-Nitrobenzoyl)-S-(2-hydroxyethyl)-carbamodithioate, (C10H10N2O4S2), was synthesized and its structure verified by single crystal X-ray diffraction and FT-IR, 1H-NMR,

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