4-Chloro-2-fluoro-5-methylaniline

Base Information

• Chemical Name: 4-Chloro-2-fluoro-5-methylaniline
• CAS No.: 116759-33-2
• Molecular Formula: C7H7ClFN
• Molecular Weight: 159.591
• Hs Code.: 2921430090
• DSSTox Substance ID: DTXSID10922148
• Nikkaji Number: J373.460I
• Wikidata: Q72450886
• Mol file: 116759-33-2.mol

Synonyms:4-chloro-2-fluoro-5-methylaniline;116759-33-2;2-chloro-4-fluoro-5-methyl aniline;4-chloro-2-fluoro-5-methylbenzenamine;Benzenamine, 4-chloro-2-fluoro-5-methyl-;4-chloro-2-fluoro-5-methyl-aniline;SCHEMBL5390700;DTXSID10922148;KENAMMSVUHVEOL-UHFFFAOYSA-N;MFCD09062485;AKOS006330414;SB76381;AS-33016;CS-0153295

Chemical Property of 4-Chloro-2-fluoro-5-methylaniline

Chemical Property:

• Vapor Pressure: 0.089mmHg at 25°C
• Melting Point: 67 °C
• Refractive Index: 1.561
• Boiling Point: 224.2 °C at 760 mmHg
• PKA: 2.69±0.10(Predicted)
• Flash Point: 89.4 °C
• PSA: 26.02000
• Density: 1.285 g/cm³
• LogP: 2.95090
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 159.0251051
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

98% ^*data from raw suppliers

4-Chloro-2-fluoro-5-methylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1Cl)F)N
• Uses: 4-Chloro-2-fluoro-5-methylaniline is a reagent in the synthesis of a new class of herbicides, 1-Aryl-4-substituted-1,4-dihydro-5H-tetrazol-5-ones.

Technology Process of 4-Chloro-2-fluoro-5-methylaniline

There total 2 articles about 4-Chloro-2-fluoro-5-methylaniline 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: 93.0%

1-chloro-5-fluoro-2-methyl-4-nitrobenzene (112108-73-3) → 4-chloro-2-fluoro-5-methylaniline (116759-33-2)

Guidance literature:

With hydrogenchloride; iron; In ethanol; water; at 80 ℃; for 1.5h;

Reference yield:

3-amino-4-fluorotoluene (452-84-6) → 4-chloro-2-fluoro-5-methylaniline (116759-33-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid; potassium nitrate / 1 h / -5 °C

2: hydrogenchloride; iron / ethanol / 3 h / Reflux

With hydrogenchloride; sulfuric acid; iron; potassium nitrate; In ethanol;

Reference yield: 79.0%

4-chloro-2-fluoro-5-methylaniline (116759-33-2) → 2-bromo-4-chloro-6-fluoro-3-methylaniline

Guidance literature:

With N-Bromosuccinimide; In N,N-dimethyl-formamide; at 0 - 25 ℃; for 1h;

upstream raw materials:

1-chloro-5-fluoro-2-methyl-4-nitrobenzene

3-amino-4-fluorotoluene

Downstream raw materials:

4-chloro-2-fluoro-5-methyl-N-phenoxycarbonylaniline

Refernces

• 1、 -. "Substituted Quinazoline and Pyridopyrimidine Derivatives Useful as Anticancer Agents". Paragraph 0252; 0253. . Retrieved 2019/08/22.
• 2、 -. "Herbicidal triazolinones". . . Retrieved 2008/06/13.