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4-cyano-3-nitrobenzoic acid is a chemical compound with the formula C8H4N2O6, belonging to the benzoic acid family. It is characterized by a molecular weight of 224.13 g/mol and a yellow solid appearance in its purest form. 4-cyano-3-nitrobenzoic acid is composed of 8 carbon atoms, 4 hydrogen atoms, 2 nitrogen atoms, and 6 oxygen atoms. The presence of a nitro group (-NO2) and a cyano group (-CN) in its structure imparts unique chemical properties such as reactivity and stability. Due to these properties, 4-cyano-3-nitrobenzoic acid has potential applications in various industries, including pharmaceuticals, dyestuffs, and agrochemicals. However, it is essential to handle this chemical with proper safety measures to mitigate potential health and environmental risks.

153775-42-9

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153775-42-9 Usage

Uses

Used in Pharmaceutical Industry:
4-cyano-3-nitrobenzoic acid is used as an intermediate in the synthesis of various pharmaceutical compounds. Its unique chemical structure allows for the creation of new drug molecules with potential therapeutic applications.
Used in Dye Industry:
4-cyano-3-nitrobenzoic acid is used as a chemical intermediate for the production of dyes. Its reactivity and stability contribute to the development of dyes with specific color properties and improved performance characteristics.
Used in Agrochemical Industry:
4-cyano-3-nitrobenzoic acid is used as a building block in the synthesis of agrochemicals, such as pesticides and herbicides. Its chemical properties enable the development of more effective and environmentally friendly products for agricultural use.

Check Digit Verification of cas no

The CAS Registry Mumber 153775-42-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,5,3,7,7 and 5 respectively; the second part has 2 digits, 4 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 153775-42:
(8*1)+(7*5)+(6*3)+(5*7)+(4*7)+(3*5)+(2*4)+(1*2)=149
149 % 10 = 9
So 153775-42-9 is a valid CAS Registry Number.

153775-42-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-cyano-3-nitrobenzoic acid

1.2 Other means of identification

Product number -
Other names 4-CN-3-NO2BzOH

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:153775-42-9 SDS

153775-42-9Relevant academic research and scientific papers

Method for continuous preparation of nitriles by amides (by machine translation)

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Paragraph 0033-0054; 0061-0065, (2020/12/15)

The method comprises the following steps: preparing a lead salt supported by a molecular sieve by a lead salt and a molecular sieve through an impregnation method; and filling a molecular sieve-loaded lead catalyst into a fixed bed reactor. The amide or amide solution is sent into a fixed bed reactor from the top of the fixed bed to be subjected to catalytic dehydration, and the obtained reaction product is led out from the bottom of the fixed bed. The reaction product is separated to obtain the crude product of the nitrile corresponding to the amide. A fixed bed continuous production process is adopted, the reaction process is simple, the production efficiency is high, the product post-treatment is simple, and industrial production is easy to realize. (by machine translation)

Method for continuous preparation of nitriles in a pipelined reactor (by machine translation)

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Paragraph 0036-0047; 0056-0057, (2020/12/14)

The method comprises the following steps that a tin catalyst is coated on the inner wall of the pipeline reactor; and the method comprises the following steps: coating a tin catalyst on the inner wall of the pipeline reactor. The amide solution and the catalytic auxiliary agent are mixed and then sent to a pipeline reactor, and the amide is dehydrated to generate nitrile at the reaction pressure of 0.1 - 2.0 mpa and 100 - 200 °C reaction temperature. The resulting reaction product was separated to give the crude product of the nitrile to which the amide corresponded. In the pipeline reactor, the corresponding nitrile is continuously prepared under the action of the tin catalyst, a dehydrating agent is not needed, byproducts only are water, and three wastes are reduced. (by machine translation)

Improving the Selectivity of PACE4 Inhibitors through Modifications of the P1 Residue

Dianati, Vahid,Navals, Pauline,Couture, Frédéric,Desjardins, Roxane,Dame, Anthony,Kwiatkowska, Anna,Day, Robert,Dory, Yves L.

, p. 11250 - 11260 (2019/01/04)

Paired basic amino acid cleaving enzyme 4 (PACE4), a serine endoprotease of the proprotein convertases family, has been recognized as a promising target for prostate cancer. We previously reported a selective and potent peptide-based inhibitor for PACE4, named the multi-Leu peptide (Ac-LLLLRVKR-NH2 sequence), which was then modified into a more potent and stable compound named C23 with the following structure: Ac-dLeu-LLLRVK-Amba (Amba: 4-amidinobenzylamide). Despite improvements in both in vitro and in vivo profiles of C23, its selectivity for PACE4 over furin was significantly reduced. We examined other Arg-mimetics instead of Amba to regain the lost selectivity. Our results indicated that the replacement of Amba with 5-(aminomethyl)picolinimidamide increased affinity for PACE4 and restored selectivity. Our results also provide a better insight on how structural differences between S1 pockets of PACE4 and furin could be employed in the rational design of selective inhibitors.

NEUROTRYPSIN INHIBITORS

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Page/Page column 88-89, (2012/05/20)

The invention relates to acylamino-phthalic acid amides and related compounds of formula (I) wherein A is -CONR3R4,-NR5COR6, -NHR7, -OR8, -mR9, -CH2NRI0R11, -(CH2)2-R12, -CH=CH-R12, -C=C-R12, optionally substituted phenyl, optionally substituted thiophenyl, or optionally substituted 1,2,3-triazol-4-yl, W is hydrogen, hydroxy or carboxymethoxy, Y is carboxy, methoxycarbonyl or 2H-tetrazol-5-yl, and the various substituents R have the meanings indicated in the description. These compounds are useful for the treatment and/or prophylaxis of skeletal muscle atrophy, schizophrenia and Alzheimer?s disease, and as cognitive enhancers.

INSECTICIDAL COMPOUNDS

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Page/Page column 51, (2008/12/06)

A compound of formula (I): wherein A1, A2, A3, A4, R1, R2, G1, G2, Q1 and Q2 are as defined in claim 1; or a salt or N-oxide thereof. Furthermore

Antibiotic compounds

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, (2008/06/13)

The present invention relates to carbapenems and provides a compound of the formula (I): STR1 or a pharmaceutically acceptable salt or in vivo hydrolysable ester thereof wherein: R1 is 1-hydroxyethyl, 1-fluoroethyl or hydroxymethyl; R2 is hydrogen or C1-4 alkyl; R3 is hydrogen or C1-4 alkyl; R4 and R5 are the same or different and are selected from hydrogen, halo, cyano, C1-4 alkyl, nitro, hydroxy, carboxy, C1-4 alkoxy, C1-4 alkoxycarbonyl, aminosulphonyl, C1-4 alkylaminosulphonyl, di-C1-4 alkylaminosulphonyl, carbamoyl, C1-4 alkylcarbamoyl, di-C1-4 alkylcarbamoyl, trifluoromethyl, sulphonic acid, amino, C1-4 alkylamino, di-C1-4 alkylamino, C1-4 alkanoylamino, C1-4 alkanoyl(N-C1-4 alkyl)amino, C1-4 alkanesulphonamido and C1-4 alkylS(O)n -- wherein n is zero, one or two: with the proviso that there is no hydroxy or carboxy substituent in a position ortho to the --NR2 --. Processes for their preparation, intermediates in their preparation, their use as therapeutic agents and pharmaceutical compositions containing them.

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