5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine

Base Information

Chemical Name:5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine
CAS No.:502686-01-3
Molecular Formula:C9H7F3N4
Molecular Weight:228.177
Hs Code.:
European Community (EC) Number:832-410-8
DSSTox Substance ID:DTXSID90391292
Wikidata:Q72512560
Mol file:502686-01-3.mol

Synonyms:502686-01-3;5-(3-(TRIFLUOROMETHYL)PHENYL)-4H-1,2,4-TRIAZOL-3-AMINE;5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine;3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-amine;3-(3-(Trifluoromethyl)phenyl)-1H-1,2,4-triazol-5-amine;SCHEMBL44695;SCHEMBL18284795;DTXSID90391292;AKOS000159813;AKOS008077824;A7460;CS-0258044;FT-0738404;EN300-68925;Z1263714165;5-(3-(trifluoromethyl)phenyl)-2H-1,2,4-triazol-3-amine

Suppliers and Price of 5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine

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-[3-(Trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-amine
50mg
$ 65.00

TRC
3-[3-(Trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-amine
25mg
$ 45.00

American Custom Chemicals Corporation
3-[3-(TRIFLUOROMETHYL)PHENYL]-1H-1,2,4-TRIAZOL-5-AMINE 95.00%
1G
$ 808.89

American Custom Chemicals Corporation
3-[3-(TRIFLUOROMETHYL)PHENYL]-1H-1,2,4-TRIAZOL-5-AMINE 95.00%
5G
$ 1421.65

American Custom Chemicals Corporation
3-[3-(TRIFLUOROMETHYL)PHENYL]-1H-1,2,4-TRIAZOL-5-AMINE 95.00%
2.5G
$ 1147.43

AK Scientific
5-[3-(Trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine
2.5g
$ 1011.00

Total 11 raw suppliers

Chemical Property of 5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine

Chemical Property:

Vapor Pressure:1.23E-06mmHg at 25°C
Refractive Index:1.566
Boiling Point:400.9 °C at 760 mmHg
Flash Point:196.3 °C
PSA：68.32000
Density:1.469 g/cm³
LogP:2.00280
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:228.06228073
Heavy Atom Count:16
Complexity:245

Purity/Quality:

97% ^*data from raw suppliers

3-[3-(Trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-amine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)C(F)(F)F)C2=NC(=NN2)N

Technology Process of 5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine

There total 5 articles about 5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine 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: 13.0%

: 2557-13-3
3-trifluoromethylbenzoic acid methyl ester

: 2582-30-1
aminoguanidine bicarbonate

: 502686-01-3
5-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-amine

Guidance literature:: aminoguanidine bicarbonate; With sodium methylate; In methanol; at 0 ℃;

3-trifluoromethylbenzoic acid methyl ester; In methanol; at 0 - 75 ℃;

Reference yield:

: 454-92-2
3-(trifluoromethyl)benzoic acid

: 502686-01-3
5-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-amine

Guidance literature:: Multi-step reaction with 2 steps

1.1: thionyl chloride / 2 h / 75 °C

2.1: sodium methylate / methanol / 0 °C

2.2: 0 - 75 °C

With thionyl chloride; sodium methylate; In methanol;

Reference yield:

: 22227-25-4
3-(trifluoromethyl)benzene-1-carbohydrazide

: 502686-01-3
C₉H₇F₃N₄

Guidance literature:: Multi-step reaction with 2 steps

1: sodium hydroxide / 72 h / 20 °C

2: water / 180 °C / Microwave irradiation

With sodium hydroxide; In water;
DOI:10.1016/j.ejmech.2013.06.051