2-Fluoroaniline

Base Information

• Chemical Name: 2-Fluoroaniline
• CAS No.: 348-54-9
• Molecular Formula: C6H6FN
• Molecular Weight: 111.119
• Hs Code.: 2921.42
• European Community (EC) Number: 206-478-9
• NSC Number: 10299
• UN Number: 2941
• UNII: SE32ZK6617
• DSSTox Substance ID: DTXSID8059843
• Nikkaji Number: J60.426G
• Wikidata: Q27093404
• Metabolomics Workbench ID: 51357
• ChEMBL ID: CHEMBL195328
• Mol file: 348-54-9.mol

Synonyms:2-fluoroaniline;2-fluoroaniline hydrochloride

Chemical Property of 2-Fluoroaniline

Chemical Property:

• Appearance/Colour: Clear colorless to brown liquid
• Vapor Pressure: 1 hPa (20 °C)
• Melting Point: -29 °C
• Refractive Index: 1.5420
• Boiling Point: 182.499 °C at 760 mmHg
• PKA: 3.2(at 25℃)
• Flash Point: 60 °C
• PSA: 26.02000
• Density: 1.158 g/cm³
• LogP: 1.98910
• Storage Temp.: 2-8°C
• Solubility.: 17g/l
• Water Solubility.: 17 g/L (20°C)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 111.048427358
• Heavy Atom Count: 8
• Complexity: 74.9
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

2-Fluoroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, T, Xi
• Hazard Codes: Xn,T,Xi
• Statements: 22-37/38-41-36/38-33-23/24/25
• Safety Statements: 26-39-37/39-45-36/37-28

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aromatic
• Canonical SMILES: C1=CC=C(C(=C1)N)F
• Uses: 2-Fluoroaniline (cas# 348-54-9) is a useful reagent for the synthesis of insecticides.

Technology Process of 2-Fluoroaniline

There total 53 articles about 2-Fluoroaniline 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-Fluoro-2-iodobenzene (348-52-7) → 2-Fluoroaniline (348-54-9)

Guidance literature:

With ammonium hydroxide; potassium phosphate; 1-(5,6,7,8-tetrahydroquinolin-8-yl)-2-methylpropan-1-one; copper(I) bromide; In dimethyl sulfoxide; at 25 ℃; for 24h; Inert atmosphere; Sealed tube;

DOI:10.1002/adsc.200900327

Reference yield: 78.0%

o-fluorophenylboronic acid (1993-03-9) → 2-Fluoroaniline (348-54-9)

Guidance literature:

With sodium hydroxide; hydroxylamine-O-sulfonic acid; In acetonitrile; at 20 ℃; for 16h;

DOI:10.1021/jo5025078

Reference yield: 75.0%

1-azido-2-fluorobenzene (3296-04-6) + tributylgermanium hydride (998-39-0) → 6-fluoro-2-tributylgermylaniline + 2-Fluoroaniline (348-54-9)

Guidance literature:

With thiophenol; In toluene; for 0.5h; Heating;

DOI:10.1021/jo0521697

upstream raw materials:

1-chloro-2-fluorobenzene

2-fluorobenzamide

N-chloro-2-fluorobenzamide

ortho-nitrofluorobenzene

Downstream raw materials:

N-(2-Fluorophenyl)-2-hydroxyiminoacetamide

N-(2-fluorophenyl)-1-naphthylamine

1-Fluoro-2-iodobenzene

4'-fluoroacetanilide

Refernces

• 1、 Amanchi, Srinivasa Rao,Ashok Kumar,Lakshminarayana, Bhairi,Satyanarayana,Subrahmanyam. "Photocatalytic hydrogenation of nitroarenes: supporting effect of CoOx on TiO2 nanoparticles". . p. 748 - 754. Retrieved 2019.
• 2、 Xu, Dan,Wang, Fushan,Yu, Guiqin,Zhao, Hong,Yang, Jing,Yuan, Man,Zhang, Xiaoyun,Dong, Zhengping. "Aminal-based Hypercrosslinked Polymer Modified with Small Palladium Nanoparticles for Efficiently Catalytic Reduction of Nitroarenes". . p. 4569 - 4577. Retrieved 2018.
• 3、 Lu, Chun Shan,Lv, Jing Hui,Ma, Lei,Zhang, Qun Feng,Feng, Feng,Li, Xiao Nian. "Highly selective hydrogenation of halonitroaromatics to aromatic haloamines by ligand modified Ni-based catalysts". . p. 545 - 548. Retrieved 2012.
• 4、 Xie, Ruigang,Cao, Xueqin,Pan, Yue,Gu, Hongwei. "Synthesis of Pt nanocatalysts for selective hydrogenation of ortho-halogenated nitrobenzene". . p. 1051 - 1055. Retrieved 2015.
• 5、 Atheeswari, Alagudurai,Kanimozhi, Nallusamy,Karthikeyan, Parasuraman,Shanmugapriya, Ramasamy. "A suitable modified palladium immobilized on imidazolium supported ionic liquid catalysed transfer hydrogenation of nitroarenes". . . Retrieved 2021/06/28.
• 6、 Kalola, Anirudhdha G.,Prasad, Pratibha,Mokariya, Jaydeep A.,Patel, Manish P.. "A mild and selective Cu(II) salts-catalyzed reduction of nitro, azo, azoxy, N-aryl hydroxylamine, nitroso, acid halide, ester, and azide compounds using hydrogen surrogacy of sodium borohydride". supporting information. p. 3565 - 3589. Retrieved 2021/10/12.