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3-CYANO-5-(METHOXYCARBONYL)BENZOIC ACID is a chemical compound characterized by its molecular formula C11H7NO4. It is a white to off-white solid with a molecular weight of 217.18 g/mol. This versatile compound features a benzoic acid core, with a cyano group at position 3 and a methoxycarbonyl group at position 5, allowing it to engage in a range of organic reactions. It is commonly utilized as an intermediate in the synthesis of pharmaceuticals and agrochemicals, contributing to the development of new chemical compounds for diverse industrial applications. However, due to its potential harmful effects if ingested, inhaled, or causing skin and eye irritation, it requires careful handling.

126739-90-0

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126739-90-0 Usage

Uses

Used in Pharmaceutical Industry:
3-CYANO-5-(METHOXYCARBONYL)BENZOIC ACID is used as a synthetic intermediate for the development of various pharmaceuticals. Its unique structure allows it to be a key component in the creation of new drugs, enhancing the range of treatments available for different medical conditions.
Used in Agrochemical Industry:
In the agrochemical sector, 3-CYANO-5-(METHOXYCARBONYL)BENZOIC ACID serves as an intermediate in the synthesis of agrochemicals. It plays a crucial role in developing new compounds for crop protection and other agricultural applications, contributing to increased crop yields and more effective pest control.
Used in Organic Synthesis:
3-CYANO-5-(METHOXYCARBONYL)BENZOIC ACID is utilized as a versatile building block in organic synthesis. Its ability to participate in various organic reactions makes it a valuable component in the creation of a wide array of chemical compounds for different industries, including but not limited to pharmaceuticals, agrochemicals, and materials science.

Check Digit Verification of cas no

The CAS Registry Mumber 126739-90-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,6,7,3 and 9 respectively; the second part has 2 digits, 9 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 126739-90:
(8*1)+(7*2)+(6*6)+(5*7)+(4*3)+(3*9)+(2*9)+(1*0)=150
150 % 10 = 0
So 126739-90-0 is a valid CAS Registry Number.
InChI:InChI=1/C10H7NO4/c1-15-10(14)8-3-6(5-11)2-7(4-8)9(12)13/h2-4H,1H3,(H,12,13)

126739-90-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-cyano-5-methoxycarbonylbenzoic acid

1.2 Other means of identification

Product number -
Other names 5-Cyano-isophthalic acid monomethyl ester

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:126739-90-0 SDS

126739-90-0Downstream Products

126739-90-0Relevant academic research and scientific papers

AMIDE DERIVATIVES AS INHIBITORS OF ASPARTYL PROTEASES

-

, (2008/12/04)

The invention provides compounds of the formula (I). N-oxides, addition salts, quaternary amines, metal complexes, stereochemically isomeric forms and metabolites thereof, wherein W is H, C1-C6alkyl, C3-C6cycloalkyl, aryl or heterocyclyl; Q is aryl or heterocyclyl; A is a five or six membered saturated, partially unsaturated or aromatic ring; D is formula (II) or formula (III); and the other variables are as defined in the specification. The compounds of the invention are inhibitors of aspartyl proteases such as renin and BACE and are among other things useful for the treatment and/or prophylaxis of conditions associated with activities of the RAS, such as hypertension, heart failure and renal insufficiency and for the treatment and or prophylaxis of conditions associated with BACE activity such as of Alzheimer's disease.

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