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3-(2-Aminoethoxy)benzonitrile, with the chemical formula C9H10N2O, is an organic compound characterized by a benzonitrile group connected to an aminoethyl ether group. This versatile chemical intermediate is known for its potential applications across various industries, particularly in the synthesis of pharmaceuticals and agrochemicals, where it contributes to the development of drugs for a range of medical conditions.

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  • 120351-94-2 Structure
  • Basic information

    1. Product Name: 3-(2-Aminoethoxy)benzonitrile
    2. Synonyms: 3-(2-Aminoethoxy)benzonitrile;3-(2-Aminoethoxy)
    3. CAS NO:120351-94-2
    4. Molecular Formula: C9H10N2O
    5. Molecular Weight: 162.1885
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 120351-94-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 303.009°C at 760 mmHg
    3. Flash Point: 137.055°C
    4. Appearance: /
    5. Density: 1.135g/cm3
    6. Vapor Pressure: 0.001mmHg at 25°C
    7. Refractive Index: 1.556
    8. Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
    9. Solubility: N/A
    10. CAS DataBase Reference: 3-(2-Aminoethoxy)benzonitrile(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-(2-Aminoethoxy)benzonitrile(120351-94-2)
    12. EPA Substance Registry System: 3-(2-Aminoethoxy)benzonitrile(120351-94-2)
  • 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: 120351-94-2(Hazardous Substances Data)

120351-94-2 Usage

Uses

Used in Pharmaceutical Industry:
3-(2-Aminoethoxy)benzonitrile is used as a chemical intermediate for the synthesis of drugs aimed at treating various medical conditions. Its unique structure allows it to be a building block in the creation of new pharmaceutical compounds, enhancing the industry's capacity to develop innovative treatments.
Used in Agrochemical Industry:
In the agrochemical sector, 3-(2-Aminoethoxy)benzonitrile serves as an intermediate in the production of agrochemicals, potentially contributing to the development of new pesticides, herbicides, or other agricultural chemicals that can improve crop protection and yield.
Used in Research Laboratories:
3-(2-Aminoethoxy)benzonitrile is also utilized as a research compound in laboratories, where it is employed as a building block for the synthesis of new chemical entities. Its presence in research settings facilitates the exploration of novel chemical reactions and the discovery of potential new applications in various fields.

Check Digit Verification of cas no

The CAS Registry Mumber 120351-94-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,0,3,5 and 1 respectively; the second part has 2 digits, 9 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 120351-94:
(8*1)+(7*2)+(6*0)+(5*3)+(4*5)+(3*1)+(2*9)+(1*4)=82
82 % 10 = 2
So 120351-94-2 is a valid CAS Registry Number.
InChI:InChI=1/C9H10N2O/c10-4-5-12-9-3-1-2-8(6-9)7-11/h1-3,6H,4-5,10H2

120351-94-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(2-Aminoethoxy)benzonitrile

1.2 Other means of identification

Product number -
Other names 3-(2-amino-ethoxy)-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:120351-94-2 SDS

120351-94-2Relevant articles and documents

SUBSTITUTED 2H-[1,2,4]TRIAZOLO[4,3-A]PYRAZINES AS GSK-3 INHIBITORS

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Page/Page column 33, (2010/02/11)

The invention relates to compounds of formula (I) prodrugs thereof, and the pahrmaceutically acceptabel salts of the compounds and prodrugs, wherein Ra, Rb, R1 and R2 are as defined herein; pharmaceutical compositions thereof; and uses thereof.

Design, synthesis, and SAR of monobenzamidines and aminoisoquinolines as factor Xa inhibitors

Zhang, Penglie,Zuckett, Jingmei F.,Woolfrey, John,Tran, Katherine,Huang, Brian,Wong, Paul,Sinha, Uma,Park, Gary,Reed, Andrea,Malinowski, John,Hollenbach, Stan,Scarborough, Robert M.,Zhu, Bing-Yan

, p. 1657 - 1661 (2007/10/03)

Monoamidine FXa inhibitors 3 were designed and synthesized. SAR studies and molecular modeling led to the design of conformationally constrained diaryl ethers 4 and 5, as well as benzopyrrolidinone 7 as potent FXa inhibitors. The monoamidines show high efficacy in a DVT model, but lack desirable oral bioavailability. The benzopyrrolidinone-based aminoisoquinolines 8 do not show significant improvement in oral bioavailability.

BENZAMIDINE DERIVATIVES

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, (2008/06/13)

Benzamidine derivatives of the following formulae or analogs thereof, i. e., pharmaceutically acceptable salts thereof, are provided. These compounds or salts thereof have a blood-coagulation inhibiting effect based on an excellent effect of inhibiting the action of activated blood coagulation factor X, and they are useful as anticoagulants.

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