3-Fluorophenylamine hydrochloride

Base Information

• Chemical Name: 3-Fluorophenylamine hydrochloride
• CAS No.: 1993-09-5
• Molecular Formula: C6H7ClFN
• Molecular Weight: 147.58
• Hs Code.: 2921420090
• DSSTox Substance ID: DTXSID60373121
• Mol file: 1993-09-5.mol

Synonyms:3-Fluorophenylamine hydrochloride;1993-09-5;3-fluoroaniline Hydrochloride;3-FLUORO-PHENYLAMINE HCL;3-FLUORO-PHENYLAMINE HYDROCHLORIDE;3-fluoroaniline;hydrochloride;3-Fluorophenylamine HCl;SCHEMBL593417;3-Fluorophenylaminehydrochloride;DTXSID60373121;MNMXMPLRBXECRC-UHFFFAOYSA-N;(3-fluorophenyl)amine hydrochloride;MFCD06661742;AKOS004910307;SB75544;Benzenamine,3-fluoro-,hydrochloride(1:1);Benzenamine, 3-fluoro-,hydrochloride (1:1);CS-0172950;FT-0630029;1-(Methylsulfonyl)-4-(aminomethyl)piperidine;A848681

Chemical Property of 3-Fluorophenylamine hydrochloride

Chemical Property:

• Vapor Pressure: 0.667mmHg at 25°C
• Boiling Point: 186.3 °C at 760 mmHg
• Flash Point: 77.2 °C
• PSA: 26.02000
• LogP: 2.79110
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 147.0251051
• Heavy Atom Count: 9
• Complexity: 74.9

Purity/Quality:

99% ^*data from raw suppliers

3-Fluorophenylamine hydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)F)N.Cl

Technology Process of 3-Fluorophenylamine hydrochloride

There total 2 articles about 3-Fluorophenylamine 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:

meta-fluoroaniline (372-19-0) → 3-fluoroaniline hydrochloride (1993-09-5)

Guidance literature:

With hydrogenchloride; In diethyl ether; at 0 ℃; Product distribution / selectivity;

Reference yield:

meta-fluoroaniline (372-19-0) + 3,5-dinitrobenoyl chloride (99-33-2) → 3-fluoroaniline hydrochloride (1993-09-5) + N-(3-fluorophenyl)-3,5-dinitrobenzamide

Guidance literature:

In chlorobenzene; at 9.9 ℃; Rate constant; reaction in binary mixtures chlorobenzene-cyclohexane and chlorobenzene-nitrobenzene, temperatures from 283 to 313 k, Δ S(excit.), Δ H(excit.), energy of activation, dependence of rate constants and activation parameters on Kirkwood function;

Reference yield: 88.0%

3-fluoroaniline hydrochloride (1993-09-5) + formamide (77287-34-4,77287-35-5,60100-09-6) → N-(3-fluorophenyl)formamide (1428-10-0)

Guidance literature:

In toluene; at 120 ℃; for 3h; Green chemistry;

DOI:10.1002/ejoc.202101114

upstream raw materials:

meta-fluoroaniline

3,5-dinitrobenoyl chloride

Downstream raw materials:

2-amino-6-(3-fluoroanilino)purine

3-(3-Fluoro-phenyl)-2,5-dimethyl-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one

6-Benzyl-3-(3-fluoro-phenyl)-2,5-dimethyl-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one

2-methyl-3-(3-fluorophenyl)-quinazolin-4-one

Refernces

• 1、 Shpan'ko, I. V.,Goncharov, A. N.. "JOINT EFFECT OF THE TEMPERATURE AND THE POLARITY OF THE MEDIUM ON THE RATE OF THE REACTION OF 3,5-DINITROBENZOYL CHLORIDE WITH 3-FLUOROANILINE. ISOPARAMETRIC POINT IN THE VARIABLE PARAMETERS". . p. 2287 - 2291. Retrieved 2007/10/02.