3-(Fluoromethyl)aniline

Base Information

Chemical Name:3-(Fluoromethyl)aniline
CAS No.:456-46-2
Molecular Formula:C7H8FN
Molecular Weight:125.1435232
Hs Code.:2921490090
European Community (EC) Number:820-523-5
Mol file:456-46-2.mol

Synonyms:3-(Fluoromethyl)aniline;456-46-2;MFCD00466952;Benzenamine, 3-(fluoromethyl)-;3-Fluoromethyl aniline;SCHEMBL1225353;3-FLUOROMETHYL-PHENYLAMINE;XKGDSQJAWPPBHI-UHFFFAOYSA-N;AKOS006364706;AS-32328;SY026432;CS-0210691;EN300-705010

Suppliers and Price of 3-(Fluoromethyl)aniline

Supply Marketing:

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-(Fluoromethyl)aniline
100mg
$ 60.00

Crysdot
3-(FLUOROMETHYL)ANILINE 95+%
5g
$ 428.00

Apolloscientific
3-(Fluoromethyl)aniline 95%
250mg
$ 218.00

Apolloscientific
3-(Fluoromethyl)aniline 95%
1g
$ 501.00

American Custom Chemicals Corporation
3-(FLUOROMETHYL)ANILINE 95.00%
5MG
$ 496.85

Alichem
3-(Fluoromethyl)aniline
5g
$ 740.94

Alichem
3-(Fluoromethyl)aniline
1g
$ 244.65

AK Scientific
3-(Fluoromethyl)aniline
1g
$ 262.00

Total 9 raw suppliers

Chemical Property of 3-(Fluoromethyl)aniline

Chemical Property:

Boiling Point:65-70 °C(Press: 20 Torr)
PKA:4.11±0.10(Predicted)
PSA：26.02000
Density:1.102±0.06 g/cm3(Predicted)
LogP:2.31950
Storage Temp.:under inert gas (nitrogen or Argon) at 2–8 °C
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:125.064077422
Heavy Atom Count:9
Complexity:85

Purity/Quality:

97% ^*data from raw suppliers

3-(Fluoromethyl)aniline ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)N)CF

Technology Process of 3-(Fluoromethyl)aniline

There total 2 articles about 3-(Fluoromethyl)aniline 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: 28.0%

: 455-94-7
1-(fluoromethyl)-3-nitrobenzene

: 456-46-2
3-(fluoromethyl)aniline

Guidance literature:: With iron; ammonium chloride; In ethanol; water; at 50 ℃; for 18h;
DOI:10.1021/acs.jmedchem.1c00700

Reference yield:

: 619-25-0
3-Nitrobenzyl alcohol

: 456-46-2
3-(fluoromethyl)aniline

Guidance literature:: Multi-step reaction with 2 steps

1: diethylamino-sulfur trifluoride / dichloromethane / -78 °C / Inert atmosphere

2: iron; ammonium chloride / methanol; water / 3 h / Reflux

With diethylamino-sulfur trifluoride; iron; ammonium chloride; In methanol; dichloromethane; water;

Reference yield: 24.0%

: 105130-28-7
4-(6-Chloropyrimidin-4-yloxy)phenylamine

: 32315-10-9
bis(trichloromethyl) carbonate

: 456-46-2
3-(fluoromethyl)aniline

: C₁₈H₁₄ClFN₄O₂

Guidance literature:: 4-(6-Chloropyrimidin-4-yloxy)phenylamine; bis(trichloromethyl) carbonate; at 20 ℃; for 6h;

3-(fluoromethyl)aniline; With triethylamine; at 20 ℃; for 18h;
DOI:10.1021/acs.jmedchem.1c00700