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Methyl 3-cyano-5-methylbenzoate, a derivative of benzoic acid, is a colorless to pale yellow liquid with the molecular formula C11H9NO2. It features a cyano group and a methyl group attached to a benzene ring, known for its pleasant aroma and is commonly used in various applications due to its unique properties.

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  • 1082041-26-6 Structure
  • Basic information

    1. Product Name: Methyl 3-cyano-5-Methylbenzoate
    2. Synonyms: Methyl 3-cyano-5-Methylbenzoate;3-Cyano-5-methylbenzoic acid methyl ester
    3. CAS NO:1082041-26-6
    4. Molecular Formula: C10H9NO2
    5. Molecular Weight: 175.18396
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1082041-26-6.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: Sealed in dry,Room Temperature
    8. Solubility: N/A
    9. CAS DataBase Reference: Methyl 3-cyano-5-Methylbenzoate(CAS DataBase Reference)
    10. NIST Chemistry Reference: Methyl 3-cyano-5-Methylbenzoate(1082041-26-6)
    11. EPA Substance Registry System: Methyl 3-cyano-5-Methylbenzoate(1082041-26-6)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1082041-26-6(Hazardous Substances Data)

1082041-26-6 Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
Methyl 3-cyano-5-methylbenzoate is utilized as an intermediate in the synthesis of pharmaceuticals and agrochemicals for its ability to contribute to the development of new compounds with desired therapeutic or pesticidal properties.
Used in Flavor and Fragrance Industry:
This chemical compound serves as a flavor and fragrance ingredient, adding pleasant aromas to various products, such as perfumes and personal care products, due to its distinctive scent.
Used in Perfume Production:
Methyl 3-cyano-5-methylbenzoate is used as a key ingredient in the production of perfumes for its ability to enhance the fragrance profile and provide a unique olfactory experience.
Used in Personal Care Products:
In the personal care industry, Methyl 3-cyano-5-Methylbenzoate is employed in the formulation of products such as lotions, creams, and shampoos to impart a pleasant scent and improve the overall sensory experience for the user.
It is important to handle Methyl 3-cyano-5-methylbenzoate with care, as it is toxic if swallowed and can cause skin and eye irritation upon contact. Proper safety measures should be taken during its use in various applications to ensure the well-being of individuals involved in its production and handling.

Check Digit Verification of cas no

The CAS Registry Mumber 1082041-26-6 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,8,2,0,4 and 1 respectively; the second part has 2 digits, 2 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 1082041-26:
(9*1)+(8*0)+(7*8)+(6*2)+(5*0)+(4*4)+(3*1)+(2*2)+(1*6)=106
106 % 10 = 6
So 1082041-26-6 is a valid CAS Registry Number.

1082041-26-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 5-methyl-3-cyanobenzoate

1.2 Other means of identification

Product number -
Other names 3-CYANO-5-METHYL-BENZOIC ACID METHYL 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:1082041-26-6 SDS

1082041-26-6Relevant articles and documents

MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS

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Page/Page column 175-176, (2020/10/18)

Methods are provided for modulating MRGPR X4 generally, or for treating a MRGPR X4 dependent condition more specifically, by contacting the MRGPR X4 or administering to a subject in need thereof, respectively, an effective amount of a compound having the structure of Formula (I): (I) or a pharmaceutically acceptable isomer, racemate, hydrate, solvate, isotope, or salt thereof, wherein n, x, A, Q1, Q2, Z, R, R1, R2, R3, R4 and R5 are as defined herein. Pharmaceutical compositions containing such compounds, as well as to compounds themselves, are also provided.

PYRIDONE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS

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Page/Page column 75-76, (2010/04/03)

The present invention relates to 2-pyridone derivatives of Formula (I) or (IV) as herein described, compositions containing such compounds, synthetic processes for making such compounds, and therapeutic methods that include the administration of such comp

Cyanation of arenes via iridium-catalyzed borylation

Liskey, Carl W.,Liao, Xuebin,Hartwig, John F.

supporting information; experimental part, p. 11389 - 11391 (2010/10/01)

We report a method to conduct one-pot meta cyanation of arenes by iridium-catalyzed C-H borylation and copper-mediated cyanation of the resulting arylboronate esters. This process relies on a method to conduct the cyanation of arylboronic esters, and conditions for this new transformation are reported. Conditions for the copper-mediated cyanation of arylboronic acids are also reported. By the resulting sequence of borylation and cyanation, 1,3-disubstituted and 1,2,3-trisubstituted arenes and heteroarenes containing halide, ketone, ester, amide, and protected alcohol functionalities are converted to the corresponding meta-substituted aryl nitriles. The utility of this methodology is demonstrated through the conversion of a protected 2,6-disubstituted phenol to 4-cyano-2,6-dimethylphenol, which is an intermediate in the synthesis of the pharmaceutical etravirine. The utility of the method is further demonstrated by the conversion of 3-chloro-5-methylbenzonitrile, produced through the one-pot C-H borylation and cyanation sequence, to the corresponding 3,5-disubstituted aldehydes, ketones, amides, carboxylic acids, tetrazoles, and benzylamines.

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