Benzenamine, acetate

Base Information

• Chemical Name: Benzenamine, acetate
• CAS No.: 542-14-3
• Molecular Formula: C8H11NO2
• Molecular Weight: 153.181
• Hs Code.: 2922499990
• European Community (EC) Number: 208-802-4
• UNII: 9K3OS48D34
• DSSTox Substance ID: DTXSID2060254
• Wikidata: Q27272656
• Mol file: 542-14-3.mol

Synonyms:Benzenamine, acetate;ANILINE ACETATE;Anilinium acetate;542-14-3;acetic acid;aniline;Benzenamine, acetate (1:1);UNII-9K3OS48D34;9K3OS48D34;EINECS 208-802-4;Anilinacetat;ANILINE, ACETATE;PHENYLAMMONIUM ACETATE;ANILINE ACETATE [MI];C6H7N.C2H4O2;SCHEMBL1956601;ACETIC ACID ANILINE SALT;DTXSID2060254;C6-H7-N.C2-H4-O2;Q27272656

Chemical Property of Benzenamine, acetate

Chemical Property:

• Vapor Pressure: 0.733mmHg at 25°C
• Melting Point: 87 °C
• Boiling Point: 184.4°Cat760mmHg
• Flash Point: 70°C
• PSA: 63.32000
• Density: g/cm³
• LogP: 1.94090
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 153.078978594
• Heavy Atom Count: 11
• Complexity: 77.2

Purity/Quality:

98%min ^*data from raw suppliers

ANILINE ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)O.C1=CC=C(C=C1)N

Technology Process of Benzenamine, acetate

There total 4 articles about Benzenamine, acetate 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: 79.0%

2-vinylpyridine (100-69-6,25014-15-7,27476-03-5,329041-71-6) + acetic acid (64-19-7,77671-22-8) + aniline (62-53-3) → N-phenyl-2'-aminoethyl-2-pyridine (6312-12-5) + aniline acetate (542-14-3)

Guidance literature:

for 48h; Reflux;

DOI:10.1002/anie.201202990

Reference yield:

acetic acid (64-19-7,77671-22-8) + aniline (62-53-3) → aniline acetate (542-14-3)

Guidance literature:

In hexane; at 25 ℃; Equilibrium constant; the influence of the acid concentration;

Reference yield:

triphenylbismuth(V) diacetate (28899-97-0,7239-60-3) + aniline (62-53-3) → aniline acetate (542-14-3) + diphenylamine (122-39-4)

Guidance literature:

With copper diacetate; In tetrahydrofuran; Ambient temperature;

upstream raw materials:

acetic acid

aniline

triphenylbismuth(V) diacetate

2-vinylpyridine

Downstream raw materials:

2-(phenylamino)naphthoquinone

β-(phenylamino)-cinnamic acid nitrile

2,5-bis(phenylamino)-1,4-benzoquinone

azophenin