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3-Nitrobenzoylacetanitrile, with the molecular formula C10H6N2O3, is a yellow crystalline powder that is soluble in organic solvents. It is a chemical compound commonly used as a building block in the synthesis of various pharmaceuticals and agrochemicals, as well as in the production of dyes, pigments, and other fine chemicals. Due to its hazardous nature, causing irritation to the skin, eyes, and respiratory system, it requires careful handling and storage in accordance with safety guidelines.

21667-64-1

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21667-64-1 Usage

Uses

Used in Pharmaceutical Industry:
3-Nitrobenzoylacetanitrile is used as a key intermediate in the synthesis of various pharmaceuticals for its versatile chemical properties, contributing to the development of new drugs and therapeutic agents.
Used in Agrochemical Industry:
In the agrochemical sector, 3-Nitrobenzoylacetanitrile serves as a building block for the production of agrochemicals, aiding in the development of effective pesticides and other agricultural chemicals to protect crops and enhance yield.
Used in Dye and Pigment Production:
3-Nitrobenzoylacetanitrile is utilized as a raw material in the manufacturing of dyes and pigments, providing a range of color options for various applications, including textiles, plastics, and printing inks.
Used in Fine Chemicals Industry:
3-NITROBENZOYLACETONITRILE is also employed in the production of other fine chemicals, where its unique properties are leveraged to create specialty chemicals for diverse applications across different industries.

Check Digit Verification of cas no

The CAS Registry Mumber 21667-64-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,1,6,6 and 7 respectively; the second part has 2 digits, 6 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 21667-64:
(7*2)+(6*1)+(5*6)+(4*6)+(3*7)+(2*6)+(1*4)=111
111 % 10 = 1
So 21667-64-1 is a valid CAS Registry Number.

21667-64-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(3-nitrophenyl)-3-oxopropanenitrile

1.2 Other means of identification

Product number -
Other names 3-nitrobenzoylacetonitrile

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:21667-64-1 SDS

21667-64-1Relevant academic research and scientific papers

Deadly KCN and pricey metal free track for accessing β-ketonitriles employing mild reaction conditions

Sharma, Pawan K.,Kumar, Rajiv,Ram, Sita,Chandak, Navneet

supporting information, p. 1847 - 1856 (2021/04/26)

A one pot synthesis of β-ketonitriles from readily accessible 3-chloropropenals using economically benign iodine, aqueous ammonia and sodium hydroxide solution, employing mild reaction conditions have been described. This report presents a convenient, inexpensive, highly toxic-matter-free and eco-friendly approach for β-ketonitriles.

Synthesis and biological evaluation of 7-(aminoalkyl)pyrazolo[1,5-a]pyrimidine derivatives as cathepsin K inhibitors

Petek, Nejc,?tefane, Bogdan,Novinec, Marko,Svete, Jurij

, p. 226 - 238 (2018/12/04)

A series of novel 7-aminoalkyl substituted pyrazolo[1,5-a]pyrimidine derivatives were synthesized and tested for inhibition of cathepsin K. The synthetic methodology comprises cyclization of 5-aminopyrazoles with N-Boc-α-amino acid-derived ynones followed by transformation of the ester and the Boc-amino functions. It allows for easy diversification of the pyrazolo[1,5-a]pyrimidine scaffold at various positions. Molecular docking studies with pyrazolo[1,5-a]pyrimidine derivatives were also performed to elucidate the binding mode in the active site of cathepsin K. The synthesized compounds exhibited moderate inhibition activity (Ki ≥ 77 μM).

PYRAZOLE COMPOUNDS AND THIAZOLE COMPOUNDS AS PROTEIN KINASES INHIBITORS

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Paragraph 0051, (2013/03/26)

A compound of formula (I): wherein A, B, D, X, Y, R1, R2, R3, m, p, and q are defined herein. Also disclosed is a method for inhibiting FMS-like tyrosine kinase 3, aurora kinase, or vascular endothelial growth factor receptor.

Iridium diamine catalyst for the asymmetric transfer hydrogenation of ketones

Vazquez-Villa, Henar,Reber, Stefan,Ariger, Martin A.,Carreira, Erick M.

supporting information; experimental part, p. 8979 - 8981 (2011/11/30)

A simple and very efficient chiral aqua iridium(III) diamine complex leads to excellent enantioselectivities in the asymmetric transfer hydrogenation of various α-cyano and α-nitro ketones. The catalyst provides the ortho-substituted aromatic alcohols with especially high ee values. The diamine ligands can be used directly as chiral ligands; conversion into the corresponding sulfamide is not necessary.

Steric and electronic control in the addition of hydrazine and phenylhydrazine to α-[(dimethylamino)methylene]-β-oxoarylpropanenitriles

Tupper, David E.,Bray, Mark R.

, p. 337 - 341 (2007/10/03)

Reaction of hydrazine with α-[(dimethylamino)methylene]-β-oxoarylpropanenitriles 2 gives a mixture of the 4-aroyl-5-aminopyrazoles 3 and the 5-aryl-4-cyanopyrazoles 4. Similarly reaction of 2 with phenylhydrazine gives rise to the 5-amino-4-aroyl-1-phenylpyrazoles 5 and 5-aryl-4-cyano-1-phenylpyrazoles 6. The regioselectivity of addition has been investigated with respect to the electronic nature and steric requirements of the aromatic substitution. The ratio of products was found to be independent of the electronic nature of the substituent. The outcome of the reaction was however very sensitive to steric factors. Substituents in the para- and meta-positions favoured formation of the pyrazole-nitrile products 4 and 6, whereas sterically demanding ortho-substituents favoured the pyrazole-amino ketones 3 and 5.

Heteroaryl 3-oxo-propanenitrile derivatives, pharmaceutical compositions and use

-

, (2008/06/13)

The invention relates to compounds having the general formula (I) STR1 and the pharmaceutically acceptable salts thereof, which possess immunomodulating activity and are useful e.g. in the treatment of neoplastic diseases and acute and chronic infections of both bacterial and viral origin in mammals.

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