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3-Bromo-5-cyanobenzoic acid methyl ester, with the molecular formula C10H7BrNO2, is a methyl ester derivative of 3-bromo-5-cyanobenzoic acid. It is a pale yellow solid with a melting point of 146-149°C and is soluble in organic solvents such as acetone and ethyl acetate. This chemical compound is commonly used in organic synthesis and pharmaceutical research as a building block for the preparation of various pharmaceutical compounds and agrochemicals. Due to its potential harmful effects if ingested, inhaled, or comes into contact with skin and eyes, it is important to handle 3-BroMo-5-cyanobenzoic acid Methyl ester with caution.

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  • 453566-15-9 Structure
  • Basic information

    1. Product Name: 3-BroMo-5-cyanobenzoic acid Methyl ester
    2. Synonyms: 3-BroMo-5-cyanobenzoic acid Methyl ester;Methyl 3-BroMo-5-cyanobenzoate;Benzoic acid, 3-broMo-5-cyano-, Methyl ester
    3. CAS NO:453566-15-9
    4. Molecular Formula: C9H6BrNO2
    5. Molecular Weight: 240.05344
    6. EINECS: -0
    7. Product Categories: N/A
    8. Mol File: 453566-15-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 301.3±27.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.60±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Sealed in dry,Room Temperature
    8. Solubility: N/A
    9. CAS DataBase Reference: 3-BroMo-5-cyanobenzoic acid Methyl ester(CAS DataBase Reference)
    10. NIST Chemistry Reference: 3-BroMo-5-cyanobenzoic acid Methyl ester(453566-15-9)
    11. EPA Substance Registry System: 3-BroMo-5-cyanobenzoic acid Methyl ester(453566-15-9)
  • 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: 453566-15-9(Hazardous Substances Data)

453566-15-9 Usage

Uses

Used in Pharmaceutical Research:
3-Bromo-5-cyanobenzoic acid methyl ester is used as a building block in pharmaceutical research for the preparation of various pharmaceutical compounds. Its unique chemical structure allows it to be a key component in the synthesis of new drugs with potential therapeutic applications.
Used in Agrochemicals:
3-Bromo-5-cyanobenzoic acid methyl ester is also used in the development of agrochemicals, where it serves as a starting material for the synthesis of various agrochemical products. Its versatility in organic synthesis makes it a valuable compound in the creation of new and effective agrochemicals.
Used in Organic Synthesis:
In the field of organic synthesis, 3-Bromo-5-cyanobenzoic acid methyl ester is used as a versatile intermediate for the preparation of a wide range of organic compounds. Its reactivity and functional groups make it a suitable candidate for various chemical reactions, leading to the formation of diverse organic molecules with different applications.

Check Digit Verification of cas no

The CAS Registry Mumber 453566-15-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,5,3,5,6 and 6 respectively; the second part has 2 digits, 1 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 453566-15:
(8*4)+(7*5)+(6*3)+(5*5)+(4*6)+(3*6)+(2*1)+(1*5)=159
159 % 10 = 9
So 453566-15-9 is a valid CAS Registry Number.

453566-15-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 3-bromo-5-cyanobenzoate

1.2 Other means of identification

Product number -
Other names -

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:453566-15-9 SDS

453566-15-9Relevant articles and documents

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

-

, (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.

ANILINE DERIVATIVES,THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION

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, (2013/03/28)

The present invention relates to aniline derivatives, to their preparation and to their therapeutic application.

Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists

-

, (2008/06/13)

The present invention provides compounds and pharmaceutical compositions that act as antagonists at metabotropic glutamate receptors, and that are useful for treating neurological diseases and disorders. Methods of preparing the compounds also are disclosed.

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