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3-(2-Bromo-5-methoxyphenyl)-3-oxopropanenitrile, also known as 2-Bromo-5-methoxy-3-(2-oxo-2-phenylethyl)cyanomethylbenzene, is a chemical compound with the molecular formula C11H10BrNO3. It is a nitrile derivative that features a benzene ring substituted with a bromine atom and a methoxy group. 3-(2-Bromo-5-methoxyphenyl)-3-oxopropanenitrile is recognized for its potential pharmacological properties and is utilized in organic synthesis and medicinal chemistry as a building block for the preparation of various biologically active molecules.

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  • 175136-65-9 Structure
  • Basic information

    1. Product Name: 3-(2-BROMO-5-METHOXYPHENYL)-3-OXOPROPANENITRILE
    2. Synonyms: 3-(2-BROMO-5-METHOXYPHENYL)-3-OXOPROPANENITRILE
    3. CAS NO:175136-65-9
    4. Molecular Formula: C10H8BrNO2
    5. Molecular Weight: 254.08
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 175136-65-9.mol
    9. Article Data: 0
  • Chemical Properties

    1. Melting Point: 92 °C
    2. Boiling Point: 389.3°C at 760 mmHg
    3. Flash Point: 189.3°C
    4. Appearance: /
    5. Density: 1.485g/cm3
    6. Vapor Pressure: 2.87E-06mmHg at 25°C
    7. Refractive Index: 1.558
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 6.19±0.10(Predicted)
    11. CAS DataBase Reference: 3-(2-BROMO-5-METHOXYPHENYL)-3-OXOPROPANENITRILE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3-(2-BROMO-5-METHOXYPHENYL)-3-OXOPROPANENITRILE(175136-65-9)
    13. EPA Substance Registry System: 3-(2-BROMO-5-METHOXYPHENYL)-3-OXOPROPANENITRILE(175136-65-9)
  • 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: 175136-65-9(Hazardous Substances Data)

175136-65-9 Usage

Uses

Used in Organic Synthesis:
3-(2-Bromo-5-methoxyphenyl)-3-oxopropanenitrile is used as a building block in organic synthesis for the creation of a variety of biologically active molecules. Its unique structure allows for the development of new compounds with potential applications in various fields.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 3-(2-Bromo-5-methoxyphenyl)-3-oxopropanenitrile is employed as a key intermediate for the synthesis of pharmaceuticals. Its presence in the molecular structure can contribute to the desired pharmacological effects of the final drug products.
Used in Drug Development:
3-(2-Bromo-5-methoxyphenyl)-3-oxopropanenitrile is utilized in drug development due to its demonstrated anti-inflammatory, antitumor, and antioxidant activities. Its potential to treat certain diseases and disorders makes it a valuable compound in the research and development of new therapeutic agents.
Used in Pharmaceutical Industry:
Within the pharmaceutical industry, 3-(2-Bromo-5-methoxyphenyl)-3-oxopropanenitrile is used as a precursor for the synthesis of drugs with potential therapeutic benefits. Its versatility in chemical reactions facilitates the creation of diverse drug candidates for clinical trials and eventual market introduction.

Check Digit Verification of cas no

The CAS Registry Mumber 175136-65-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,5,1,3 and 6 respectively; the second part has 2 digits, 6 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 175136-65:
(8*1)+(7*7)+(6*5)+(5*1)+(4*3)+(3*6)+(2*6)+(1*5)=139
139 % 10 = 9
So 175136-65-9 is a valid CAS Registry Number.
InChI:InChI=1/C10H8BrNO2/c1-14-7-2-3-9(11)8(6-7)10(13)4-5-12/h2-3,6H,4H2,1H3

175136-65-9SDS

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 3-(2-BROMO-5-METHOXYPHENYL)-3-OXOPROPANENITRILE

1.2 Other means of identification

Product number -
Other names HMS549J09

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:175136-65-9 SDS

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