Nitrin

Base Information

• Chemical Name: Nitrin
• CAS No.: 553-74-2
• Molecular Formula: C13H13 N3
• Molecular Weight: 211.266
• Hs Code.: 2928000090
• European Community (EC) Number: 209-048-9
• UNII: 5O91JW4WDV
• Mol file: 553-74-2.mol

Synonyms:2-Aminobenzaldehyde phenylhydrazone;553-74-2;Nitrin;Nitrine;Anthranilaldehyde phenylhydrazone;2-[(E)-(phenylhydrazinylidene)methyl]aniline;2-((2-Phenylhydrazono)methyl)aniline;UNII-5O91JW4WDV;5O91JW4WDV;EINECS 209-048-9;Anthranilaldehyde, phenylhydrazone;Benzaldehyde, 2-amino-, phenylhydrazone;NSC-59996;NITRIN [MI];SCHEMBL487844;LCPNCBSCOIMOBC-XNTDXEJSSA-N;MFCD00086199;NSC 59996;AKOS015998174;LS-07480;A830388;A913812;BENZALDEHYDE, 2-AMINO-, 2-PHENYLHYDRAZONE;2-[(E)-(2-phenylhydrazin-1-ylidene)methyl]aniline

Chemical Property of Nitrin

Chemical Property:

• Vapor Pressure: 3.72E-06mmHg at 25°C
• Melting Point: 227-229° (dec)
• Boiling Point: 385.7°Cat760mmHg
• Flash Point: 187.1°C
• PSA: 50.41000
• Density: 1.1g/cm³
• LogP: 3.36900
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 211.110947427
• Heavy Atom Count: 16
• Complexity: 221

Purity/Quality:

99% ^*data from raw suppliers

NITRIN Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NN=CC2=CC=CC=C2N
• Isomeric SMILES: C1=CC=C(C=C1)N/N=C/C2=CC=CC=C2N
• Uses: Detection of nitrites, colibacilli in urine: Pfeiffer, Muench. Med. Wochenschr. 92, 1315 (1950).

Technology Process of Nitrin

There total 22 articles about Nitrin 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: 75.0%

phenylhydrazine (100-63-0) + 2-nitro-benzaldehyde (552-89-6) → nitrin (553-74-2)

Guidance literature:

With sodium sulfide; sulfur; In methanol; water; for 3h; Heating;

DOI:10.1016/j.saa.2007.05.065

Reference yield:

2-nitrobenzyl chloride (612-23-7) → nitrin (553-74-2)

Guidance literature:

Multi-step reaction with 2 steps

1: alcohol

2: zinc dust; glacial acetic acid

With ethanol; acetic acid; zinc;

Reference yield:

1-(2-nitrobenzylidene)-2-phenylhydrazine (610-64-0) → nitrin (553-74-2)

Guidance literature:

With acetic acid; zinc;

upstream raw materials:

anthranil

phenylhydrazine

3,9-bis-(2-nitro-phenyl)-2,4,8,10-tetraoxa-spiro[5.5]undecane

pyridine

Refernces

• 1、 Refat, Moamen S.,Ibrahim, Asmaa A.. "Synthesis, infrared spectra and thermal studies of Zn(II), Cd(II) and Hg(II) complexes with 2-aminobenzaldehyde phenylhydrazone "nitrin" ligand". . p. 234 - 242. Retrieved 2008.