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4-bromo-2-fluoro-6-methoxybenzonitrile is a chemical compound characterized by the molecular formula C8H6BrFNO. It is a white solid benzonitrile derivative, featuring a benzene ring with a nitrile group attached. The incorporation of bromine, fluorine, and methoxy functional groups endows this compound with diverse applications in pharmaceutical and agrochemical development, as well as in the synthesis of complex organic molecules. Its unique structure and properties render it a significant intermediate in the production of a variety of chemical products.

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  • 457051-15-9 Structure
  • Basic information

    1. Product Name: 4-bromo-2-fluoro-6-methoxybenzonitrile
    2. Synonyms: 4-bromo-2-fluoro-6-methoxybenzonitrile
    3. CAS NO:457051-15-9
    4. Molecular Formula: C8H5BrFNO
    5. Molecular Weight: 230.0338032
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 457051-15-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 269.5±35.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.63±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: 4-bromo-2-fluoro-6-methoxybenzonitrile(CAS DataBase Reference)
    10. NIST Chemistry Reference: 4-bromo-2-fluoro-6-methoxybenzonitrile(457051-15-9)
    11. EPA Substance Registry System: 4-bromo-2-fluoro-6-methoxybenzonitrile(457051-15-9)
  • 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: 457051-15-9(Hazardous Substances Data)

457051-15-9 Usage

Uses

Used in Pharmaceutical Research:
4-bromo-2-fluoro-6-methoxybenzonitrile is utilized as a key intermediate in the synthesis of pharmaceuticals for its ability to contribute to the development of new drugs with specific therapeutic properties. The presence of multiple functional groups allows for versatile chemical reactions, facilitating the creation of novel medicinal compounds.
Used in Agrochemical Development:
In the agrochemical industry, 4-bromo-2-fluoro-6-methoxybenzonitrile serves as a building block for the production of pesticides and other agrochemicals. Its unique structure allows for the design of molecules with targeted biological activity, enhancing crop protection and yield.
Used in Organic Synthesis:
As a versatile intermediate, 4-bromo-2-fluoro-6-methoxybenzonitrile is employed in organic synthesis for the creation of more complex organic molecules. Its functional groups enable a range of chemical reactions, making it a valuable component in the synthesis of specialty chemicals and advanced materials.
Used in Chemical Product Production:
4-bromo-2-fluoro-6-methoxybenzonitrile is leveraged in the production of various chemical products due to its unique structure and properties. It plays a crucial role as an intermediate in the manufacturing process, contributing to the development of innovative and high-quality chemical goods.

Check Digit Verification of cas no

The CAS Registry Mumber 457051-15-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,5,7,0,5 and 1 respectively; the second part has 2 digits, 1 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 457051-15:
(8*4)+(7*5)+(6*7)+(5*0)+(4*5)+(3*1)+(2*1)+(1*5)=139
139 % 10 = 9
So 457051-15-9 is a valid CAS Registry Number.

457051-15-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Bromo-2-fluoro-6-methoxybenzonitrile

1.2 Other means of identification

Product number -
Other names 4-bromo-2-fluoro-6-methoxy-benzonitrile

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:457051-15-9 SDS

457051-15-9Relevant articles and documents

Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma

Ensan, Deeba,Smil, David,Zepeda-Velázquez, Carlos A.,Panagopoulos, Dimitrios,Wong, Jong Fu,Williams, Eleanor P.,Adamson, Roslin,Bullock, Alex N.,Kiyota, Taira,Aman, Ahmed,Roberts, Owen G.,Edwards, Aled M.,O'meara, Jeff A.,Isaac, Methvin B.,Al-Awar, Rima

, p. 4978 - 4996 (2020/05/18)

Diffuse intrinsic pontine glioma is an aggressive pediatric cancer for which no effective chemotherapeutic drugs exist. Analysis of the genomic landscape of this disease has led to the identification of the serine/threonine kinase ALK2 as a potential target for therapeutic intervention. In this work, we adopted an open science approach to develop a series of potent type I inhibitors of ALK2 which are orally bio-available and brain-penetrant. Initial efforts resulted in the discovery of M4K2009, an analogue of the previously reported ALK2 inhibitor LDN-214117. Although highly selective for ALK2 over the TGF-βR1 receptor ALK5, M4K2009 is also moderately active against the hERG potassium channel. Varying the substituents of the trimethoxyphenyl moiety gave rise to an equipotent benzamide analogue M4K2149 with reduced off-target affinity for the ion channel. Additional modifications yielded 2-fluoro-6-methoxybenzamide derivatives (26a-c), which possess high inhibitory activity against ALK2, excellent selectivity, and superior pharmacokinetic profiles.

SMALL MOLECULE INHIBITORS OF DIHYDROFOLATE REDUCTASE

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Page/Page column 102, (2017/01/31)

The disclosure relates to compositions and methods for the treatment of fungal, bacterial, and parasitic infections and inhibition of fungal, bacterial, and parasitic growth. In particular, such compositions include dihydrofolate reductase (DHFR) inhibito

INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL

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Page/Page column 58, (2014/09/03)

The present invention provides compounds of Formula(I) or a pharmaceutically acceptable salt thereof, which are inhibitors of the ROMK (Kir1.1) channel. The compounds may be used as diuretic and/or natriuretic agents and for the therapy and prophylaxis of medical conditions including cardiovascular diseases such as hypertension, heart failure, kidney disease, edema, and conditions associated with excessive salt and water retention.

SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS

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Paragraph 0735, (2013/11/05)

Substituted 4-aminobenzamides, pharmaceutical compositions containing these compounds and also methods of using these compounds in the treatment and/or prophylaxis of pain and further diseases and/or disorders.

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