Benzenamine, sulfate (2:1)

Base Information

• Chemical Name: Benzenamine, sulfate (2:1)
• CAS No.: 542-16-5
• Molecular Formula: 2C₆H₈N*O₄S
• Molecular Weight: 284.336
• Hs Code.: 29214200
• European Community (EC) Number: 208-805-0
• UNII: 3BM77321CW
• DSSTox Substance ID: DTXSID20883433
• Wikidata: Q27257011
• Mol file: 542-16-5.mol

Synonyms:Benzenamine, sulfate (2:1);542-16-5;Aniline hemisulfate;aniline;sulfuric acid;Dianilinium sulphate;3BM77321CW;Aniline sulfate salt;Aniline sulfate, 98%;ANILINE HEMISULPHATE;ANILINUM SULPHURICUM;ANILINE HEMISULFATE [MI];DTXSID20883433;ANILINUM SULPHURICUM [HPUS];MFCD00013110;AKOS015888381;BENZENAMINE, SULPHATE (2:1);AS-10318;Q27257011

Chemical Property of Benzenamine, sulfate (2:1)

Chemical Property:

• Appearance/Colour: white to very slightly yellow crystalline powder
• Vapor Pressure: 0.733mmHg at 25°C
• Melting Point: -6oC
• Boiling Point: 184.4 °C at 760 mmHg
• Flash Point: 70 °C
• PSA: 109.00000
• Density: 1.38
• LogP: 2.27800
• Solubility.: water: soluble5%, clear, colorless
• Water Solubility.: Soluble in water
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 284.08307817
• Heavy Atom Count: 19
• Complexity: 127

Purity/Quality:

98%min ^*data from raw suppliers

Aniline sulfate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,N
• Hazard Codes: T,N
• Statements: 23/24/25-40-41-43-48/23/24/25-50-68
• Safety Statements: 26-27-36/37/39-45-61-63

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aromatic
• Canonical SMILES: C1=CC=C(C=C1)N.C1=CC=C(C=C1)N.OS(=O)(=O)O
• Uses: Aniline sulfate was used as an internal standard in the stereoselective disposition of methamphetamine (MAP, a widely abused drug) study.

Technology Process of Benzenamine, sulfate (2:1)

There total 5 articles about Benzenamine, sulfate (2:1) 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: 93.6%

aniline (62-53-3) → dianilunium sulphate (542-16-5,2424-53-5,20305-50-4,29961-02-2)

Guidance literature:

With sulfur dioxide; water; oxygen; at 20 ℃; pH=< 1;

DOI:10.1134/S0036023618050157

Reference yield:

diethyl ether (60-29-7,927820-24-4) + N-Phenylhydroxylamine (100-65-2) → 2-amino-1-benzenesulfonic acid (88-21-1) + N-phenylsulfamic acid (3345-86-6) + dianilunium sulphate (542-16-5,2424-53-5,20305-50-4,29961-02-2) + azoxybenzene (495-48-7,55599-32-1)

Guidance literature:

Reference yield:

sulfuric acid (7664-93-9) + N-[N-(4-chloro-phenyl)-benzimidoyl]-N'-phenyl-urea (74638-06-5) → N-(4-chlorophenyl)benzamide (2866-82-2) + carbon dioxide (124-38-9,18923-20-1) + ammonia (7664-41-7) + dianilunium sulphate (542-16-5,2424-53-5,20305-50-4,29961-02-2)

Guidance literature:

at 120 - 130 ℃;

upstream raw materials:

diethyl ether

2,4,6-trihydroxybenzene-1,3,5-trisulfonic acid

aniline

N-Phenylhydroxylamine

Downstream raw materials:

bis-(4-amino-phenyl)-(5-chloro-2-amino-phenyl)-methane

4,4',4''-triaminotriphenylmethane

pararosaniline

N-phenyl benzoyl amide

Refernces

• 1、 Matulková, Irena,Cihelka, Jaroslav,Fejfarová, Karla,Duek, Michal,Pojarová, Michaela,Vank, Pemysl,Kroupa, Jan,ála, Michal,Krupková, Radmila,Němec, Ivan. "Semi-organic salts of aniline with inorganic acids: Prospective materials for the second harmonic generation". body text. p. 4131 - 4138. Retrieved 2012/04/17.
• 2、 Singh, Gurdip,Kapoor, Inder Pal Singh. "Kinetics of Thermal Decomposition of Dianilinium Sulphate". . p. 2155 - 2158. Retrieved 2007/10/02.