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4-(Bromomethyl)-3-cyanoBenzoic acid methyl ester is a chemical compound with the molecular formula C10H8BrNO2. It is a methyl ester derivative of 4-(bromomethyl)-3-cyanobenzoic acid, characterized by its white to off-white crystalline powder form. 4-(Bromomethyl)-3-cyanoBenzoic acid methyl ester is sparingly soluble in water but soluble in organic solvents such as methanol and dimethyl sulfoxide. It serves as a versatile building block in the synthesis of various organic compounds, particularly in the fields of pharmaceuticals, agrochemicals, and other fine chemicals.

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  • 219519-17-2 Structure
  • Basic information

    1. Product Name: 4-(Bromomethyl)-3-cyanoBenzoic acid methyl ester
    2. Synonyms: 4-(Bromomethyl)-3-cyanoBenzoic acid methyl ester
    3. CAS NO:219519-17-2
    4. Molecular Formula: C10H8BrNO2
    5. Molecular Weight: 254.082
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 219519-17-2.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.: under inert gas (nitrogen or Argon) at 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: 4-(Bromomethyl)-3-cyanoBenzoic acid methyl ester(CAS DataBase Reference)
    10. NIST Chemistry Reference: 4-(Bromomethyl)-3-cyanoBenzoic acid methyl ester(219519-17-2)
    11. EPA Substance Registry System: 4-(Bromomethyl)-3-cyanoBenzoic acid methyl ester(219519-17-2)
  • 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: 219519-17-2(Hazardous Substances Data)

219519-17-2 Usage

Uses

Used in Pharmaceutical Manufacturing:
4-(Bromomethyl)-3-cyanoBenzoic acid methyl ester is used as a key intermediate in the synthesis of pharmaceuticals. Its unique structure allows for the development of new drugs with potential therapeutic applications.
Used in Agrochemical Production:
In the agrochemical industry, 4-(Bromomethyl)-3-cyanoBenzoic acid methyl ester is utilized as a precursor for the production of various agrochemicals, contributing to the development of effective pest control agents and crop protection products.
Used in Organic Synthesis:
4-(Bromomethyl)-3-cyanoBenzoic acid methyl ester is employed as a building block in organic synthesis for the creation of a wide range of fine chemicals. Its reactivity and functional groups make it a valuable component in the synthesis of complex organic molecules.
Used in Research and Development:
4-(Bromomethyl)-3-cyanoBenzoic acid methyl ester is also used in research and development settings to explore its potential applications and to understand its chemical properties and reactivity. It aids scientists in advancing the knowledge of organic chemistry and its practical applications.
Safety Precautions:
It is crucial to handle 4-(Bromomethyl)-3-cyanoBenzoic acid methyl ester with care and follow proper safety guidelines due to its potentially hazardous nature if mishandled.

Check Digit Verification of cas no

The CAS Registry Mumber 219519-17-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,1,9,5,1 and 9 respectively; the second part has 2 digits, 1 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 219519-17:
(8*2)+(7*1)+(6*9)+(5*5)+(4*1)+(3*9)+(2*1)+(1*7)=142
142 % 10 = 2
So 219519-17-2 is a valid CAS Registry Number.

219519-17-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 4-(bromomethyl)-3-cyanobenzoate

1.2 Other means of identification

Product number -
Other names methyl 3-cyano-4-(bromomethyl)benzoate

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:219519-17-2 SDS

219519-17-2Relevant articles and documents

BIARYLOXY DERIVATIVES AS TTX-S BLOCKERS

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Paragraph 0210; 0252, (2019/03/17)

The present invention relates to biaryloxy derivatives which have blocking activities of voltage gated sodium channels as the TTX-S channels, and which are useful in the treatment or prevention of disorders and diseases in which voltage gated sodium channel is involved. The invention also relates to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which voltage gated sodium channels are involved.

PHTHALAZINE DERIVATIVES, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF

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Paragraph 0192, (2018/11/21)

The present invention provides a compound of formula I, a cis-trans isomer, an enantiomer, a diastereoisomer, a racemate, a solvate, a hydrate, or a pharmaceutical acceptable salt and ester thereof, a preparation method for preparing the same, a pharmaceutical composition comprising the same and a use of the compound as an α5-GABAA receptor regulator, wherein T, Z, A and Y are as defined in the description.

THERAPEUTIC INHIBITORY COMPOUNDS

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Page/Page column 135, (2015/07/16)

The invention provides compounds of Formula I and Formula II: A-B-C-D-E-F-G-J (I) C-D-E-F-G-J (II) wherein A, B, C, D, E, F, G, and J have any of the values defined in the specification, and salts thereof. The compounds are useful for inhibiting plasma kallikrein, and for treating a disease or condition in an animal where inhibition of plasma kallikrein is indicated.

Mild Benzylic Monobromination of Methyl Toluates in Aqueous CTAB

Reddy, Kancharla Rajendar,Rajanna, Kamatala C.,Venkateswarlu, Marri,Saiprakash

, p. 2485 - 2487 (2015/07/27)

A strategy has been developed for the regioselective monobromination of methyl toluates by using tert-butylhydrogen peroxide and potassium bromide (TBHP/KBr) in a cetyltrimethylammonium bromide (CTAB) micellar medium. Ultrasonic and microwave-assisted protocols recorded increased rates and product yields under mild reaction conditions, coupled with a straightforward isolation procedure.

Synthesis and SAR of novel CXCR4 antagonists that are potent inhibitors of T tropic (X4) HIV-1 replication

Skerlj, Renato,Bridger, Gary,McEachern, Ernie,Harwig, Curtis,Smith, Chris,Wilson, Trevor,Veale, Duane,Yee, Helen,Crawford, Jason,Skupinska, Krystyna,Wauthy, Rossana,Yang, Wen,Zhu, Yongbao,Bogucki, David,Di Fluri, Maria,Langille, Jonathon,Huskens, Dana,De Clercq, Erik,Schols, Dominique

experimental part, p. 262 - 266 (2011/02/27)

An early lead from the AMD070 program was optimized and a structure-activity relationship was developed for a novel series of heterocyclic containing compounds. Potent CXCR4 antagonists were identified based on anti-HIV-1 activity and Ca2+ flux

Antithrombotic agents

-

, (2008/06/13)

This application relates to a compound of formula (I), a pharmaceutically acceptable salt of the compound, or a prodrug thereof, as defined herein, pharmaceutical compositions thereof, and its use as an inhibitor of factor Xa, as well as a process for its

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