Nitron

Base Information

• Chemical Name: Nitron
• CAS No.: 2218-94-2
• Deprecated CAS: 100406-05-1,100627-96-1,12283-40-8,487-88-7,57176-20-2,6035-01-4,99784-60-8,99994-22-6,101540-27-6,100627-96-1,101540-27-6,12283-40-8,487-88-7,57176-20-2,6035-01-4,99784-60-8,99994-22-6
• Molecular Formula: C20H16 N4
• Molecular Weight: 312.374
• Hs Code.: 29339980
• European Community (EC) Number: 218-724-2
• UNII: 90IM4Z883Z
• DSSTox Substance ID: DTXSID5062269
• Wikidata: Q2134581
• ChEMBL ID: CHEMBL3729429
• Mol file: 2218-94-2.mol

Synonyms:Nitron;2218-94-2;487-88-7;1,4-Diphenyl-3-phenylamino-1,2,4-triazolium hydroxide inner salt;UNII-90IM4Z883Z;90IM4Z883Z;C20H16N4;NSC 5038;EINECS 218-724-2;1H-1,2,4-Triazolium, 1,4-diphenyl-3-(phenylamino)-, hydroxide, inner salt;1,4-Diphenyl-3-(phenylamino)-1H-1,2,4-triazolium inner salt;1,4-diphenyl-3-(phenylamino)-1h-1,2,4-triazolium inner salt;1H-1,2,4-Triazolium, 1,4-diphenyl-3-(phenylamino)-, inner salt;1,4-Diphenyl-3-(phenylammonio)-1H-1,2,4-triazolium;N,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine;1,4-Diphenyl-endoanilino-dihydrotriazole;2,3,5,6-Tetraazabicyclo(2.1.1)hex-1-ene, 3,5,6-triphenyl-;2,3,5,6-Tetraazabicyclo[2.1.1]hex-1-ene, 3,5,6-triphenyl-;Nitron, 98%;NITRON [MI];SCHEMBL145319;1,4-diphenyl-3-(phenylazamethylene)-1,2,4-triazoline;CHEMBL3729429;DTXSID5062269;HMS1536P07;NITRON (ANALYTICAL REAGENT);MFCD00005174;STL257047;STL301907;AKOS015995647;AKOS016354043;4,5-Dihydro-2,4-diphenyl-5-(phenylimino)-1H-1,2,4-triazolium hydroxide inner salt;NCGC00174856-01;N0211;D91656;J-014577;Q2134581;4H-1,2,4-Triazolium, 1,4-diphenyl-3-(phenylamino)-, inner salt;1,4-DIPHENYL-3-(PHENYLAMINO)-4H-1,2,4-TRIAZOLIUM INNER SALT;Nitron, for spectrophotometric det. of nitrate and perchlorate, >=97.0%;(5Z)-2,4-diphenyl-5-(phenylimino)-2,5-dihydro-1,2,4-triazol-4-ium-1-ide;(5Z)-2,4-diphenyl-5-(phenylimino)-4,5-dihydro-1,2,4-triazol-2-ium-1-ide

Chemical Property of Nitron

Chemical Property:

• Appearance/Colour: lemon yellow crystalline powder
• Melting Point: 189-190 °C (dec.)(lit.)
• Refractive Index: 1.367
• Boiling Point: 442.29°C (rough estimate)
• PKA: 10.34 ± 0.02(at 25℃)
• PSA: 34.06000
• Density: 0.93g/cm³
• LogP: 2.94360
• Solubility.: almost transparency in Acetic acid
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 312.137496527
• Heavy Atom Count: 24
• Complexity: 466

Purity/Quality:

99% ^*data from raw suppliers

Nitron ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Dyes -> Other Dyes
• Canonical SMILES: C1=CC=C(C=C1)N=C2[N-][N+](=CN2C3=CC=CC=C3)C4=CC=CC=C4
• Uses: Determination of boron, nitrate, perchlorate, rhenium, tungsten, molybdenum.

Technology Process of Nitron

There total 4 articles about Nitron 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:

→ 4,5-Dihydro-1,4-diphenyl-3(5)-phenyl-imino-1,2,4-triazol (2218-94-2)

Guidance literature:

With ethanol; iron(III) chloride;

Reference yield:

formic acid (64-18-6) + N,N',3-triphenylcarbazamidine (63467-95-8) → 4,5-Dihydro-1,4-diphenyl-3(5)-phenyl-imino-1,2,4-triazol (2218-94-2)

Guidance literature:

DOI:10.1071/CH9671779

Reference yield:

ethanol (64-17-5) + (1,4-diphenyl-4,5-dihydro-1H-[1,2,4]triazol-3-yl)-phenyl-amine (63549-51-9) + acetic acid (64-19-7,77671-22-8) → 4,5-Dihydro-1,4-diphenyl-3(5)-phenyl-imino-1,2,4-triazol (2218-94-2)

Guidance literature:

DOI:10.1071/CH9671779

upstream raw materials:

formic acid

N,N',3-triphenylcarbazamidine

ethanol

(1,4-diphenyl-4,5-dihydro-1H-[1,2,4]triazol-3-yl)-phenyl-amine

Downstream raw materials:

N,N',3-triphenylcarbazamidine