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887591-70-0

2-(2-Cyanoacetyl)benzonitrile, with the molecular formula C11H7N3O, is a white to light brown solid chemical compound. It features a benzene ring with a cyanoacetyl group and a nitro group attached, making it a versatile building block for the creation of various organic molecules. 2-(2-CYANOACETYL)BENZONITRILE is primarily used as an intermediate in the synthesis of pharmaceuticals and agrochemicals, and is also known for its potential as a reactive intermediate in the preparation of new organic compounds. It is utilized in research and development processes in the pharmaceutical and chemical industries, as well as in academic research as a customizable chemical building block.

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  • 887591-70-0 Structure

  • Basic information

    1. Product Name: 2-(2-CYANOACETYL)BENZONITRILE
    2. Synonyms: 2-(2-CYANOACETYL)BENZONITRILE;Benzenepropanenitrile, 2-cyano-b-oxo-
    3. CAS NO:887591-70-0
    4. Molecular Formula: C10H6N2O
    5. Molecular Weight: 170.17
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 887591-70-0.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 399.178°C at 760 mmHg
    3. Flash Point: 195.216°C
    4. Appearance: /
    5. Density: 1.214g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.559
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 6.31±0.10(Predicted)
    11. CAS DataBase Reference: 2-(2-CYANOACETYL)BENZONITRILE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2-(2-CYANOACETYL)BENZONITRILE(887591-70-0)
    13. EPA Substance Registry System: 2-(2-CYANOACETYL)BENZONITRILE(887591-70-0)

  • 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: 887591-70-0(Hazardous Substances Data)

887591-70-0 Usage

Uses

Used in Pharmaceutical Industry:
2-(2-Cyanoacetyl)benzonitrile is used as a chemical intermediate for the synthesis of various pharmaceuticals. Its unique structure allows for the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical industry, 2-(2-Cyanoacetyl)benzonitrile serves as a key intermediate in the production of agrochemicals, contributing to the development of effective pesticides and other agricultural chemicals.
Used in Research and Development:
2-(2-Cyanoacetyl)benzonitrile is used as a customizable chemical building block in research and development processes. Its reactivity and structural features make it a valuable tool for creating new organic compounds and exploring novel chemical reactions in both pharmaceutical and chemical industries, as well as in academic research.

Check Digit Verification of cas no

The CAS Registry Mumber 887591-70-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,8,7,5,9 and 1 respectively; the second part has 2 digits, 7 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 887591-70:
(8*8)+(7*8)+(6*7)+(5*5)+(4*9)+(3*1)+(2*7)+(1*0)=240
240 % 10 = 0
So 887591-70-0 is a valid CAS Registry Number.
InChI:InChI=1/C10H6N2O/c11-6-5-10(13)9-4-2-1-3-8(9)7-12/h1-4H,5H2

887591-70-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(2-cyanoacetyl)benzonitrile

1.2 Other means of identification

Product number -
Other names Benzenepropanenitrile,2-cyano-b-oxo

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:887591-70-0 SDS

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