5-Fluoro-2-iodoaniline

Base Information

• Chemical Name: 5-Fluoro-2-iodoaniline
• CAS No.: 255724-71-1
• Molecular Formula: C₆H₅FIN
• Molecular Weight: 237.015
• Hs Code.: 2921420090
• European Community (EC) Number: 677-878-2
• DSSTox Substance ID: DTXSID40379065
• Nikkaji Number: J3.544.156E
• Wikidata: Q72480234
• Mol file: 255724-71-1.mol

Synonyms:5-Fluoro-2-iodoaniline;255724-71-1;5-fluoro-2-iodobenzenamine;Benzenamine, 5-fluoro-2-iodo-;5-Fluoro-2-iodo-phenylamine;2-IODO-5-FLUOROANILINE;MFCD02093953;5-fluoro-2-iodo-aniline;3-fluoro-6-iodoaniline;SCHEMBL550112;5-Fluoro-2-iodoaniline, 97%;DTXSID40379065;UCPDOOZBROQHME-UHFFFAOYSA-N;AKOS015888268;AM61868;CS-W002882;AS-18850;SY030399;2-Pyrimidinamine,N-(1-methylethyl)-(9CI);FT-0620394;J3.544.156E;A19763;A19837;EN300-154031

Chemical Property of 5-Fluoro-2-iodoaniline

Chemical Property:

• Vapor Pressure: 0.0139mmHg at 25°C
• Melting Point: 40-42 °C
• Refractive Index: 1.656
• Boiling Point: 258.2 °C at 760 mmHg
• PKA: 1.52±0.10(Predicted)
• Flash Point: 110 °C
• PSA: 26.02000
• Density: 2.008 g/cm³
• LogP: 2.59370
• Storage Temp.: 2-8°C
• Sensitive.: Light Sensitive
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 236.94507
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 36/37/38-25
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)N)I

Technology Process of 5-Fluoro-2-iodoaniline

There total 1 articles about 5-Fluoro-2-iodoaniline 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: 74.0%

meta-fluoroaniline (372-19-0) → 3-fluoro-4-iodoaniline (656-66-6) + 5-fluoro-2,4-diiodoaniline + 5-fluoro-2-iodoaniline (255724-71-1)

Guidance literature:

With iodine; sodium hydrogencarbonate; In water; at 20 ℃; for 0.5h;

DOI:10.1016/j.jfluchem.2015.07.006

Reference yield: 89.0%

acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) + 5-fluoro-2-iodoaniline (255724-71-1) → C10H10FNO2

Guidance literature:

With palladium diacetate; triethylamine; tris-(o-tolyl)phosphine; In acetonitrile; at 90 ℃; for 16h; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.8b01132

Reference yield: 88.0%

phenylacetic acid (103-82-2) + 5-fluoro-2-iodoaniline (255724-71-1) → 5-fluoro-2-phenylbenzo[d][1,3]selenazole

Guidance literature:

With selenium; potassium hydroxide; copper(I) bromide; In dimethyl sulfoxide; at 120 ℃; for 18h; Inert atmosphere; Schlenk technique;

DOI:10.1016/j.tetlet.2018.06.027

upstream raw materials:

meta-fluoroaniline

Downstream raw materials:

6-fluoro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole

2-[N-(5-fluoro-2-iodophenyl)-N-methylaminomethyl]benzaldehyde

6-fluoro-2-methyl-1H-indole

5-fluoro-2-prop-1-ynylphenylamine

Refernces