4-Chloro-2-fluorobenzylamine hydrochloride

Base Information

• Chemical Name: 4-Chloro-2-fluorobenzylamine hydrochloride
• CAS No.: 202982-63-6
• Molecular Formula: C₇H₇ClFN*ClH
• Molecular Weight: 196.052
• Hs Code.: 2921499090
• European Community (EC) Number: 606-507-9
• DSSTox Substance ID: DTXSID00369285
• Mol file: 202982-63-6.mol

Synonyms:202982-63-6;4-Chloro-2-fluorobenzylamine hydrochloride;(4-chloro-2-fluorophenyl)methanamine hydrochloride;4-CHLORO-2-FLUOROBENZYLAMINE HCL;4-Chloro-2-fluorobenzylamine, HCl;(4-chloro-2-fluorophenyl)methanamine;hydrochloride;MFCD00143286;SCHEMBL5957928;DTXSID00369285;DFRJZBWKVAXYRV-UHFFFAOYSA-N;CL8938;AKOS005255255;AM83200;PS-8272;4-Chloro-2-fluorobenzylaminehydrochloride;(4-Chloro-2-fluorophenyl)methanamine HCl;4-chloro-2-fluoro-benzylamine hydrochloride;CS-0132411;FT-0618019;EN300-155286;(4-chloro-2-fluorophenyl)methanaminehydrochloride;A814408;4-Chloro-2-fluorobenzylamine hydrochloride, AldrichCPR;Z2238931004;Benzenemethanamine, 4-chloro-2-fluoro-, hydrochloride (1:1)

Chemical Property of 4-Chloro-2-fluorobenzylamine hydrochloride

Chemical Property:

• Appearance/Colour: Light yellow powder
• Vapor Pressure: 0.186mmHg at 25°C
• Melting Point: 236-241 °C
• Refractive Index: 1.543
• Boiling Point: 211.1 °C at 760 mmHg
• Flash Point: 81.5 °C
• PSA: 26.02000
• Density: 1.27g/cm³
• LogP: 3.44010
• Water Solubility.: It is soluble in water.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 195.0017828
• Heavy Atom Count: 11
• Complexity: 110

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-2-fluorobenzylaminehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, C
• Hazard Codes: Xn,C
• Statements: 36/37/38-21/22
• Safety Statements: 36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)F)CN.Cl
• Uses: 4-Chloro-2-fluorobenzylamine hydrochloride It is used as a primary and secondary intermediate. It is also used as a pharmaceutical intermediate.

Technology Process of 4-Chloro-2-fluorobenzylamine hydrochloride

There total 1 articles about 4-Chloro-2-fluorobenzylamine 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:

N-(4-chloro-2-fluoro-benzyl)phthalimide (536761-10-1) → (4-chloro-2-fluorophenyl)methanamine hydrochloride (202982-63-6)

Guidance literature:

N-(4-chloro-2-fluoro-benzyl)phthalimide; With hydrazine; In methanol; at 65 ℃; for 2.5h;

With hydrogenchloride; In water;

With hydrogenchloride; In water; acetonitrile;

Reference yield:

(4-chloro-2-fluorophenyl)methanamine hydrochloride (202982-63-6) → 2-((4-chloro-2-fluorobenzyl)amino)-7-oxo-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

Guidance literature:

Multi-step reaction with 3 steps

1: ethanol / 2 h / Reflux; Inert atmosphere

2: hydrazine hydrate / 1 h / Reflux

3: acetic acid / water / 120 °C

With hydrazine hydrate; acetic acid; In ethanol; water;

DOI:10.1021/acs.jmedchem.5b00313

Reference yield:

(4-chloro-2-fluorophenyl)methanamine hydrochloride (202982-63-6) → 3-amino-5-((4-chloro-2-fluorobenzyl)amino)-1H-pyrazole-4-carbonitrile

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 2 h / Reflux; Inert atmosphere

2: hydrazine hydrate / 1 h / Reflux

With hydrazine hydrate; In ethanol;

DOI:10.1021/acs.jmedchem.5b00313

upstream raw materials:

N-(4-chloro-2-fluoro-benzyl)phthalimide

Refernces