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449758-25-2

2-(1H-TETRAZOL-1-YL)BENZONITRILE is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 449758-25-2 Structure

  • Basic information

    1. Product Name: 2-(1H-TETRAZOL-1-YL)BENZONITRILE
    2. Synonyms: 2-(1H-TETRAZOL-1-YL)BENZONITRILE
    3. CAS NO:449758-25-2
    4. Molecular Formula: C8H5N5
    5. Molecular Weight: 171.16
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 449758-25-2.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.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 2-(1H-TETRAZOL-1-YL)BENZONITRILE(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2-(1H-TETRAZOL-1-YL)BENZONITRILE(449758-25-2)
    11. EPA Substance Registry System: 2-(1H-TETRAZOL-1-YL)BENZONITRILE(449758-25-2)

  • 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: 449758-25-2(Hazardous Substances Data)

449758-25-2 Usage

Physical form

White to off-white powder

Common uses

Intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds

Chemical properties

Acts as a ligand in metal-organic coordination chemistry

Potential applications

Anti-cancer agent, treatment of tuberculosis, materials science and nanotechnology

Unique properties

Diverse applications and subject of research in various fields

Check Digit Verification of cas no

The CAS Registry Mumber 449758-25-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,4,9,7,5 and 8 respectively; the second part has 2 digits, 2 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 449758-25:
(8*4)+(7*4)+(6*9)+(5*7)+(4*5)+(3*8)+(2*2)+(1*5)=202
202 % 10 = 2
So 449758-25-2 is a valid CAS Registry Number.

449758-25-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(tetrazol-1-yl)benzonitrile

1.2 Other means of identification

Product number -
Other names 2-Tetrazol-1-yl-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:449758-25-2 SDS

449758-25-2Relevant articles and documents

1,6 - SUBSTITUTED (3R,6R) -3- (2,3-DIHYDRO-1H-INDEN-2-YL)-2,5-PIPERAZINEDIONE DERIVATIVES AS OXYTOCIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PRE-TERM LABOUR, DYSMENORRHEA AND ENDOMETRIOSIS

-

Page/Page column 59, (2008/06/13)

The present invention relates to compound S of Formula (I).

Discovery and evaluation of potent P1 aryl heterocycle-based thrombin inhibitors

Young, Mary Beth,Barrow, James C.,Glass, Kristen L.,Lundell, George F.,Newton, Christina L.,Pellicore, Janetta M.,Rittle, Kenneth E.,Selnick, Harold G.,Stauffer, Kenneth J.,Vacca, Joseph P.,Williams, Peter D.,Bohn, Dennis,Clayton, Franklin C.,Cook, Jacquelynn J.,Krueger, Julie A.,Kuo, Lawrence C.,Lewis, S. Dale,Lucas, Bobby J.,McMasters, Daniel R.,Miller-Stein, Cynthia,Pietrak, Beth L.,Wallace, Audrey A.,White, Rebecca B.,Wong, Bradley,Yan, Youwei,Nantermet, Philippe G.

, p. 2995 - 3008 (2007/10/03)

In an effort to discover potent, clinically useful thrombin inhibitors, a rapid analogue synthetic approach was used to explore the P1 region. Various benzylamines were coupled to a pyridine/pyrazinone P2-P 3 template. One compound with an o-thiadiazole benzylic substitution was found to have a thrombin Ki of 0.84 nM. A study of ortho-substituted five-membered-ring heterocycles was undertaken and subsequently demonstrated that the o-triazole and tetrazole rings were optimal. Combination of these potent P1 aryl heterocycles with a variety of P2-P3 groups produced a compound with an extraordinary thrombin inhibitory activity of 1.4 pM. It is hoped that this potency enhancement in P1 will allow for more diversification in the P 2-P3 region to ultimately address additional pharmacological concerns.

Thrombin inhibitors

-

, (2008/06/13)

Compounds of the invention are useful in inhibiting thrombin and associated thrombotic occlusions having the following structure: wherein R1 is, for example, hydrogen, Cl, or cyano, and R2 is, for example, hydrogen,

Thrombin inhibitors

-

, (2008/06/13)

Compounds of the invention are useful in inhibiting thrombin and treating blood coagulation and cardiovascular disorders and have the following structure: wherein R3 is hydrogen or halogen, and u is N or CH.

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