2,3-Difluoroaniline

Base Information

• Chemical Name: 2,3-Difluoroaniline
• CAS No.: 4519-40-8
• Molecular Formula: C6H5F2N
• Molecular Weight: 129.109
• Hs Code.: 29214200
• European Community (EC) Number: 224-847-2
• DSSTox Substance ID: DTXSID80196415
• Nikkaji Number: J150.066J
• Wikidata: Q72462326
• Mol file: 4519-40-8.mol

Synonyms:2,3-Difluoroaniline;4519-40-8;2,3-difluorobenzenamine;Benzenamine, 2,3-difluoro-;MFCD00010298;EINECS 224-847-2;2,3-difluorophenylamine;2,3-Difluoro-phenylamine;difluoraniline;2,3-difluorophenyl amine;SCHEMBL59477;2,3-Difluoroaniline, 98%;BIDD:GT0108;YCCQGFYAVUTQFK-UHFFFAOYSA-;DTXSID80196415;BCP10332;AKOS005259161;AC-2725;AM61537;CS-W007344;PS-9154;SY002696;D2595;FT-0609609;EN300-52525;W-106160;F0001-1224;Z755885564

Chemical Property of 2,3-Difluoroaniline

Chemical Property:

• Appearance/Colour: clear light orange liquid
• Vapor Pressure: 1.08mmHg at 25°C
• Refractive Index: n20/D 1.514(lit.)
• Boiling Point: 176.6 °C at 760 mmHg
• PKA: 2.19±0.10(Predicted)
• Flash Point: 71.1 °C
• PSA: 26.02000
• Density: 1.289 g/cm³
• LogP: 2.12820
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 129.03900549
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

99% ^*data from raw suppliers

2,3-Difluoroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-27-28-36/37/39-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)F)F)N
• Uses: 2,3-Difluoroaniline was used in the synthesis of ethyl 2-arylamino-4-trifluoromethylpyrimidine-5-carboxylate.

Technology Process of 2,3-Difluoroaniline

There total 16 articles about 2,3-Difluoroaniline 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: 98.0%

2,3-dibromo-5,6-difluoroaniline → 2,3-difluoroanilline (4519-40-8)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; triethylamine; In methanol; at 50 ℃; for 3h;

Reference yield: 93.0%

1,2-dibromo-4,5-difluoro-3-nitrobenzene (1481-57-8) → 2,3-difluoroanilline (4519-40-8)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; triethylamine; In methanol; at 50 ℃; for 2.5h; Temperature;

Reference yield: 89.1%

1-(2,3-difluorophenyl)pyrrolidine-2,5-dione → 2,3-difluoroanilline (4519-40-8)

Guidance literature:

With hydrogenchloride; In water; for 1h; Reflux;

upstream raw materials:

1,2,3-trichlorobenzene

isopropyl alcohol

difluorodichlorobenzene

1-chloro-3,5-difluorobenzene

Downstream raw materials:

N-(2,3-difluorophenyl)-3-nitroanthranilic acid

N-benzyl-2,3-difluoroaniline

2-[(2,3-Difluoro-phenylamino)-methylene]-malonic acid diethyl ester

7,8-Difluoroquinoline

Refernces

• 1、 -. "PRODUCTION METHOD OF 2,3-DIHALOGENOANILINE". Paragraph 0046; 0047. . Retrieved 2016/10/07.
• 2、 Pews, R. Garth,Gall, James A.. "AROMATIC FLUORINE CHEMISTRY. PART 5. PREPARATION OF 2,6-DIFLUOROANILINE AND 1,2-DIFLUOROBENZENE". . p. 379 - 386. Retrieved 2007/10/02.