2-Fluoro-5-methylaniline

Base Information

• Chemical Name: 2-Fluoro-5-methylaniline
• CAS No.: 452-84-6
• Molecular Formula: C7H8FN
• Molecular Weight: 125.146
• Hs Code.: 29214300
• NSC Number: 97095
• DSSTox Substance ID: DTXSID90294557
• Nikkaji Number: J236.472G
• Wikidata: Q72474354
• Mol file: 452-84-6.mol

Synonyms:2-Fluoro-5-methylaniline;452-84-6;3-Amino-4-fluorotoluene;6-Fluoro-m-toluidine;2-fluoro-5-methylbenzenamine;2-Fluoro-5-methylphenylamine;Benzenamine, 2-fluoro-5-methyl-;MFCD00007654;2-fluoro-5-methyl-aniline;NSC97095;2-fluoro-5-metylaniline;2-fluoro-5-methyl aniline;SCHEMBL59217;QZUXMXZNVAJNSE-UHFFFAOYSA-;DTXSID90294557;2-Fluoro-5-methylaniline, 99%;CS-D0820;NSC-97095;STL169016;AKOS000120076;AC-3687;CCG-302498;DS-0875;PS-9196;SB10519;AM20060288;F0528;FT-0612361;EN300-20587;J-509452;Z104479030

Chemical Property of 2-Fluoro-5-methylaniline

Chemical Property:

• Appearance/Colour: clear yellow to brown liquid
• Vapor Pressure: 0.307mmHg at 25°C
• Refractive Index: n20/D 1.533(lit.)
• Boiling Point: 201.5 °C at 760 mmHg
• PKA: 3.33±0.10(Predicted)
• Flash Point: 81.7 °C
• PSA: 26.02000
• Density: 1.115 g/cm³
• LogP: 2.29750
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 125.064077422
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

2-Fluoro-5-methylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,Xi
• Hazard Codes: Xi,T
• Statements: 36/37/38-23/24/25
• Safety Statements: 26-36-45-2636/37/39-36/37/39-27

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)F)N

Technology Process of 2-Fluoro-5-methylaniline

There total 10 articles about 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: 86.0%

4-fluoro-3-nitrotoluene (446-11-7) → 3-amino-4-fluorotoluene (452-84-6)

Guidance literature:

With ethanol; iron; calcium chloride; In water; at 60 ℃; for 0.5h; chemoselective reaction;

DOI:10.1055/s-0030-1259067

Reference yield:

3,3'-dimethylazobenzene (588-04-5) → 3-amino-4-fluorotoluene (452-84-6)

Guidance literature:

3,3'-dimethylazobenzene; With N-fluorobis(benzenesulfon)imide; potassium nitrate; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In dichloromethane; at 55 ℃; for 12h; Sealed tube;

With sodium tetrahydroborate; copper(l) chloride; In ethanol; at 20 ℃; for 0.166667h;

Reference yield:

C16H17FN2 → 3-amino-4-fluorotoluene (452-84-6)

Guidance literature:

With sodium tetrahydroborate; copper(l) chloride; In ethanol; at 20 ℃;

DOI:10.1039/c9cc07726j

upstream raw materials:

3-bromo-4-fluorotoluene

1-(2-fluoro-5-methyl-phenyl)-propan-1-one oxime

4-fluoro-3-nitrotoluene

3,3'-dimethylazobenzene

Downstream raw materials:

1-fluoro-2-methoxy-4-methylbenzene

4-fluoro-3-methoxybenzaldehyde

4?fluoro-3-methoxybenzoic acid

(4-fluoro-3-methoxy-phenyl)methanol

Refernces

• 1、 -. "Synthesis of 2 - fluoro aniline compounds of the method". Paragraph 0092; 0093; 0095; 0096; 0097. . Retrieved 2019/05/15.
• 2、 Chandrappa,Vinaya,Ramakrishnappa,Rangappa. "An efficient method for aryl nitro reduction and cleavage of azo compounds using iron powder/calcium chloride". experimental part. p. 3019 - 3022. Retrieved 2011/03/17.