Diphenylamine hydrochloride

Base Information

• Chemical Name: Diphenylamine hydrochloride
• CAS No.: 537-67-7
• Molecular Formula: C12H12ClN
• Molecular Weight: 205.687
• Hs Code.: 2921440000
• European Community (EC) Number: 208-675-5
• NSC Number: 6783
• UNII: DD564FD4QR
• DSSTox Substance ID: DTXSID6060218
• Wikidata: Q27276335
• Mol file: 537-67-7.mol

Synonyms:Diphenylamine hydrochloride;537-67-7;N-phenylaniline hydrochloride;Diphenylammonium chloride;Benzenamine, N-phenyl-, hydrochloride;Diphenylamine (hydrochloride);DIPHENYLAMINE HCL;Diphenylamine, hydrochloride;N-phenylaniline;hydrochloride;UNII-DD564FD4QR;DD564FD4QR;N-Phenylaniline (hydrochloride);Benzenamine, N-phenyl-, hydrochloride (1:1);NSC 6783;NSC-6783;EINECS 208-675-5;AI3-08897;C12H11N.ClH;SCHEMBL192934;DTXSID6060218;NSC6783;HY-N7133;MFCD00042007;s5604;AKOS016009453;DIPHENYLAMINE HYDROCHLORIDE [MI];AS-59086;AM20040659;CS-0048782;D0874;FT-0625253;A829765;Q27276335;F0001-1394

Chemical Property of Diphenylamine hydrochloride

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 0.00102mmHg at 25°C
• Melting Point: 180 °C
• Boiling Point: 302 °C at 760 mmHg
• Flash Point: 152.8 °C
• PSA: 12.03000
• Density: 1.088 g/cm³
• LogP: 4.30520
• Storage Temp.: <0°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 205.0658271
• Heavy Atom Count: 14
• Complexity: 116

Purity/Quality:

98%,99%, ^*data from raw suppliers

Diphenylamine Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC2=CC=CC=C2.Cl

Technology Process of Diphenylamine hydrochloride

There total 6 articles about Diphenylamine hydrochloride 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: 50.0%

diphenylamine (122-39-4) → diphenylamine hydrochloride (537-67-7)

Guidance literature:

With hydrogenchloride; In hexane; water; at 20 ℃; for 48h; Inert atmosphere;

DOI:10.1007/s11746-012-2200-1

Reference yield:

pentachlorocyclopropane (6262-51-7) + diphenylamine (122-39-4) + triethylamine (121-44-8) → diethylaminobis(diphenylamino)cyclopropenium chloride + C23H30N3(1+)*Cl(1-) + diphenylamine hydrochloride (537-67-7) + triethylamine hydrochloride (554-68-7)

Guidance literature:

In dichloromethane; at 0 - 20 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1002/cplu.202000146

Reference yield:

phosgene (75-44-5) + diphenylamine (122-39-4) → diphenylamine hydrochloride (537-67-7) + diphenylcarbamic chloride (83-01-2)

Guidance literature:

With chloroform;

DOI:10.1163/157180800X00145

upstream raw materials:

phosgene

diphenylamine

N,N-diphenyl-benzamidine; hydrochloride

pentafluorobenzenesulfenyl chloride

Downstream raw materials:

1,1-diphenylthiourea

4-(Phenylazo)diphenylamine

1,1-diphenyl-biguanide

N,N,N'-triphenyl-guanidine

Refernces

• 1、 Abdelbassit, Mohammed S.,Crittenden, Deborah L.,Curnow, Owen J.,Ferreras, Manuel. "A Discrete Dichloride Tetrahydrate Trapped by a Cyclopropenium Cation: Structure and Spectroscopic Properties". . p. 927 - 932. Retrieved 2020.