4-Chlorobenzylamine

Base Information

• Chemical Name: 4-Chlorobenzylamine
• CAS No.: 104-86-9
• Molecular Formula: C7H8ClN
• Molecular Weight: 141.6
• Hs Code.: 29214990
• European Community (EC) Number: 203-245-3
• NSC Number: 60119
• DSSTox Substance ID: DTXSID7059307
• Nikkaji Number: J5.181K
• Wikidata: Q27458619
• ChEMBL ID: CHEMBL13218
• Mol file: 104-86-9.mol

Synonyms:4-Chlorobenzylamine;104-86-9;(4-Chlorophenyl)methanamine;p-Chlorobenzylamine;Benzenemethanamine, 4-chloro-;1-(4-chlorophenyl)methanamine;4-Chloro-benzylamine;p-Chlorobenzyl amine;Benzylamine, p-chloro-;MFCD00008121;(4-chlorophenyl)methylamine;4-chlorobenzyl amine;CHEMBL13218;EINECS 203-245-3;NSC 60119;PARA-CHLOROBENZYLAMINE;4chlorobenzylamine;4-chlorbenzylamin;p-chlorobenzylarnine;C2B;NSC60119;4-chlorobenzylarnine;4-Choro-benzylamine;4-chloro benzylamine;4-chlorobenzyl-amine;4-chloro benzyl amine;4-chloro-benzyl amine;4-chlorophenylmethylamine;4-chlorobenzenemethanamine;4-chlorophenyl methanamine;4-Chlorobenzylamine, 98%;(4-chloro-phenyl)methanamine;(4-chlorophenyl) methylamine;SCHEMBL107396;(p-Aminomethyl)phenyl chloride;[(4-chlorophenyl)methyl]amine;(4-Chlorophenyl)methanamine #;DTXSID7059307;HMS1759E05;STR00198;BDBM50325562;CK2405;NSC-60119;STK802222;AKOS000264244;CS-W007535;AC-10962;C1090;FT-0602548;EN300-16214;W-108804;Q27458619;F2190-0392;20032-75-1

Chemical Property of 4-Chlorobenzylamine

Chemical Property:

• Appearance/Colour: clear slightly yellow liquid
• Vapor Pressure: 0.139mmHg at 25°C
• Melting Point: 277-278 °C(Solv: N,N-dimethylformamide (68-12-2))
• Refractive Index: n20/D 1.558(lit.)
• Boiling Point: 216.6 °C at 760 mmHg
• PKA: 8.85±0.10(Predicted)
• Flash Point: 92.6 °C
• PSA: 26.02000
• Density: 1.16 g/cm³
• LogP: 2.49900
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: Not miscible in water.
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 141.0345270
• Heavy Atom Count: 9
• Complexity: 77

Purity/Quality:

99% ^*data from raw suppliers

4-Chlorobenzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,C
• Hazard Codes: C:Corrosive
• Statements: R34:
• Safety Statements: S26:; S36/37/39:; S45:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aromatic
• Canonical SMILES: C1=CC(=CC=C1CN)Cl
• Uses: 4-Chlorobenzylamine is used as pharmaceutical intermediate.

Technology Process of 4-Chlorobenzylamine

There total 66 articles about 4-Chlorobenzylamine 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: 100.0%

4-chlorobenzaldehyde (104-88-1) → 4-chlorobenzylamine (104-86-9)

Guidance literature:

With ammonium hydroxide; hydrogen; In ethanol; at 130 ℃; for 12h; under 7500.75 Torr; Autoclave;

DOI:10.1016/j.jcat.2019.01.004

Reference yield: 94.0%

4-chlorobenzyl azide (27032-10-6) → 4-chlorobenzylamine (104-86-9)

Guidance literature:

With Amberlite IRA-400; borohydride form; copper(II) sulfate; In methanol; at 20 ℃; for 6h;

DOI:10.1246/bcsj.70.1101

Reference yield: 85.0%

1-Chloro-4-(chloromethyl)benzene (104-83-6) → 4-chlorobenzylamine (104-86-9)

Guidance literature:

With ammonium hydroxide; potassium dihydrogenphosphate; In tert-butyl methyl ether; at 20 ℃; for 0.5h; Reagent/catalyst; Solvent; Autoclave;

upstream raw materials:

4-Cyanochlorobenzene

N-(4-chloro-benzyl)-phthalamic acid

(4-chloro-benzyl)-hexamethylenetetraminium; chloride

ammonium formate

Downstream raw materials:

(4-chloro-benzyl)-pyridin-4-yl-amine

(4-chloro-benzyl)-(2-methanesulfonyl-7⁽⁹⁾H-purin-6-yl)-amine

N-(4-chlorobenzyl)acetamide

N‐(4‐chlorobenzylidene)benzylamine

Refernces

• 1、 Zamani, Asghar,Poursattar Marjani, Ahmad,Nikoo, Abbas,Heidarpour, Mojtaba,Dehghan, Ahmad. "Synthesis and characterization of copper nanoparticles on walnut shell for catalytic reduction and C-C coupling reaction". . p. 176 - 181. Retrieved 2018.
• 2、 Neumann, Jacob,Bornschein, Christoph,Jiao, Haijun,Junge, Kathrin,Beller, Matthias. "Hydrogenation of Aliphatic and Aromatic Nitriles Using a Defined Ruthenium PNP Pincer Catalyst". . p. 5944 - 5948. Retrieved 2015.
• 3、 Tseliou, Vasilis,Schilder, Don,Masman, Marcelo F.,Knaus, Tanja,Mutti, Francesco G.. "Generation of Oxidoreductases with Dual Alcohol Dehydrogenase and Amine Dehydrogenase Activity". supporting information. p. 3315 - 3325. Retrieved 2020/12/11.
• 4、 Liu, Jianguo,Ma, Longlong,Song, Yanpei,Zhang, Mingyue,Zhuang, Xiuzheng. "Simplified preparation of a graphene-co-shelled Ni/NiO@C nano-catalyst and its application in theN-dimethylation synthesis of amines under mild conditions". supporting information. p. 4604 - 4617. Retrieved 2021/06/30.