3-Fluoroaniline

Base Information Edit

Chemical Name:3-Fluoroaniline
CAS No.:372-19-0
Molecular Formula:C6H6FN
Molecular Weight:111.119
Hs Code.:29214210
European Community (EC) Number:206-747-0
NSC Number:10300
UNII:TLL4X88AZP
DSSTox Substance ID:DTXSID10190683
Nikkaji Number:J55.227E
Wikidata:Q27103382
Metabolomics Workbench ID:51493
ChEMBL ID:CHEMBL58888
Mol file:372-19-0.mol

Synonyms:3-fluoroaniline

Suppliers and Price of 3-Fluoroaniline

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
3-Fluoroaniline
5g
$ 45.00

TCI Chemical
3-Fluoroaniline >98.0%(GC)(T)
25g
$ 36.00

TCI Chemical
3-Fluoroaniline >98.0%(GC)(T)
250g
$ 210.00

SynQuest Laboratories
3-Fluoroaniline 98%
500 g
$ 317.00

SynQuest Laboratories
3-Fluoroaniline 98%
1 kg
$ 440.00

SynQuest Laboratories
3-Fluoroaniline 98%
100 g
$ 74.00

Sigma-Aldrich
3-Fluoroaniline 99%
25g
$ 46.60

Oakwood
3-Fluoroaniline
25g
$ 30.00

Oakwood
3-Fluoroaniline
5g
$ 13.00

Oakwood
3-Fluoroaniline
100g
$ 95.00

Total 94 raw suppliers

Chemical Property of 3-Fluoroaniline Edit

Chemical Property:

Appearance/Colour:clear yellow to brown liquid
Melting Point:-2 °C
Refractive Index:n20/D 1.542(lit.)
Boiling Point:186.3 °C at 760 mmHg
PKA:3.5(at 25℃)
Flash Point:77.2 °C
PSA：26.02000
Density:1.158 g/cm³
LogP:1.98910
Storage Temp.:Store below +30°C.
Solubility.:8g/l (calculated)
Water Solubility.:insoluble
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

Purity/Quality:

99% ^*data from raw suppliers

3-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: 26-36/39-37/39-45-36/37-28

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)F)N
Uses 3-Fluoroaniline is used in the preparation of acetic acid-(3-fluoro-anilide by reacting with acetic acid anhydride. Further, it serves as a reagent in the preparation of radamide analogs as Grp94 inhibitors, which has potential to be antitumor agents.

Technology Process of 3-Fluoroaniline

There total 27 articles about 3-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: 99.0%

: 402-67-5
3-fluoro-1-nitrobenzene

: 372-19-0
meta-fluoroaniline

Guidance literature:: With palladium 10% on activated carbon; hydrazine hydrate; In ethanol; at 20 ℃; for 12h; Schlenk technique;
DOI:10.1080/00397911.2018.1484924

Reference yield: 93.0%

: 351-28-0
N-(3-fluorophenyl)acetamide

: 372-19-0
meta-fluoroaniline

Guidance literature:: With [RuCl₂(2-(diphenylphosphino)-N-((6-((diphenylphosphino)methyl)pyridin-2-yl)methyl)ethan-1-amine)]; potassium tert-butylate; hydrogen; In tetrahydrofuran; at 100 ℃; for 20h; under 37503.8 Torr; chemoselective reaction; Catalytic behavior; Autoclave;
DOI:10.1002/chem.201604904

Reference yield: 83.0%

: 351-28-0
N-(3-fluorophenyl)acetamide

: 372-19-0
meta-fluoroaniline

: 2707-62-2
N-ethyl-3-fluoroaniline

Guidance literature:: With dihydridocarbonyl(1,1,1-tris(diphenylphosphinomethyl)ethane)ruthenium(II) complex; boron trifluoride diethyl etherate; hydrogen; toluene-4-sulfonic acid; In tetrahydrofuran; at 120 ℃; for 16h; under 38002.6 Torr; Glovebox; Autoclave; Inert atmosphere;
DOI:10.1002/cctc.201600635