2-Fluoro-5-hydrazinylbenzonitrile

Base Information

• Chemical Name: 2-Fluoro-5-hydrazinylbenzonitrile
• CAS No.: 161886-21-1
• Molecular Formula: C7H6 F N3
• Molecular Weight: 151.143
• Hs Code.: 2928000090
• European Community (EC) Number: 819-827-0
• DSSTox Substance ID: DTXSID00459716
• Wikidata: Q72479867
• Mol file: 161886-21-1.mol

Synonyms:2-Fluoro-5-hydrazinylbenzonitrile;161886-21-1;2-Fluoro-5-hydrazinobenzonitrile;Benzonitrile, 2-fluoro-5-hydrazino- (9CI);3-cyano-4-fluorophenylhydrazine;SCHEMBL897882;DTXSID00459716;MGANJOUQFOPFNS-UHFFFAOYSA-N;AKOS011602075;Benzonitrile, 2-fluoro-5-hydrazinyl-;CS-0215676;FT-0727140;EN300-274542

Chemical Property of 2-Fluoro-5-hydrazinylbenzonitrile

Chemical Property:

• Boiling Point: 280℃
• PKA: 4.53±0.24(Predicted)
• Flash Point: 123℃
• PSA: 61.84000
• Density: 1.30
• LogP: 1.75628
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 151.05457537
• Heavy Atom Count: 11
• Complexity: 174

Purity/Quality:

98%min ^*data from raw suppliers

2-Fluoro-5-hydrazinylbenzonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1NN)C#N)F

Technology Process of 2-Fluoro-5-hydrazinylbenzonitrile

There total 3 articles about 2-Fluoro-5-hydrazinylbenzonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3-cyano-4-fluoroaniline (53312-81-5) → 2-fluoro-5-hydrazinobenzonitrile (161886-21-1)

Guidance literature:

3-cyano-4-fluoroaniline; With hydrogenchloride; sodium nitrite; at 0 ℃;

With tin(ll) chloride;

DOI:10.1021/jm020578e

Reference yield:

C7H3FN3(1+)*Cl(1-) (1020174-08-6) → 2-fluoro-5-hydrazinobenzonitrile (161886-21-1)

Guidance literature:

C₇H₃FN₃⁽¹⁺⁾*Cl^(1-); With hydrogenchloride; tin(ll) chloride; In water; at -10 - 0 ℃; for 0.5 - 2h;

With sodium hydroxide; In water; at 0 ℃; pH=8; Product distribution / selectivity;

Reference yield:

→ 2-fluoro-5-hydrazinobenzonitrile (161886-21-1)

Guidance literature:

upstream raw materials:

3-cyano-4-fluoroaniline

C₇H₃FN₃⁽¹⁺⁾*Cl^(1-)

Downstream raw materials:

C₁₅H₆F₆IN₃

C₁₅H₉BrF₃N₃

5-[5-amino-4-(3-chloro-5-trifluoromethylphenyl)-3-trifluoromethylpyrazol-1-yl]-2-fluorobenzonitrile

5-[5-amino-4-(3-chloro-5-trifluoromethylphenyl)-3-trifluoromethylpyrazol-1-yl]-2-(5-oxo-4,5-dihydro[1,2,4]triazol-1-yl)benzonitrile

Refernces

• 1、 -. "Process for the preparation of 1,3,5-trisubstituted pyrazoles via [3+2] cycloaddition". Page/Page column 4-5. . Retrieved 2008/06/13.
• 2、 Lam, Patrick Y. S.,Clark, Charles G.,Li, Renhua,Pinto, Donald J. P.,Orwat, Michael J.,Galemmo, Robert A.,Fevig, John M.,Teleha, Christopher A.,Alexander, Richard S.,Smallwood, Angela M.,Rossi, Karen A.,Wright, Matthew R.,Bai, Stephen A.,He, Kan,Luettgen, Joseph M.,Wong, Pancras C.,Knabb, Robert M.,Wexler, Ruth R.. "Structure-based design of novel guanidine/benzamidine mimics: Potent and orally bioavailable factor Xa inhibitors as novel anticoagulants". . p. 4405 - 4418. Retrieved 2007/10/03.