2-Benzothiazolamine, 4-(trifluoromethyl)-

Base Information

• Chemical Name: 2-Benzothiazolamine, 4-(trifluoromethyl)-
• CAS No.: 60388-36-5
• Molecular Formula: C8H5 F3 N2 S
• Molecular Weight: 218.202
• Hs Code.: 2934999090
• European Community (EC) Number: 262-211-6
• DSSTox Substance ID: DTXSID1069401
• Nikkaji Number: J298.844E
• Wikidata: Q72511713
• Mol file: 60388-36-5.mol

Synonyms:60388-36-5;4-(trifluoromethyl)-1,3-benzothiazol-2-amine;4-(Trifluoromethyl)benzo[d]thiazol-2-amine;2-Benzothiazolamine, 4-(trifluoromethyl)-;4-Trifluoromethyl-benzothiazol-2-ylamine;4-(Trifluoromethyl)benzothiazol-2-amine;C8H5F3N2S;EINECS 262-211-6;SCHEMBL1913695;DTXSID1069401;C8-H5-F3-N2-S;MFCD00160038;2-amino-4-trifluoromethylbenzothiazole;AKOS000122824;SB18604;4-(Trifluoromethyl)-2-benzothiazolamine;AS-50398;CS-0054539;FT-0652329;EN300-12448;P10087;4-(Trifluoromethyl)-1,3-benzothiazol-2-ylamine;A914386;F2169-0129;Z119990478;4-(trifluoromethyl)-1,3-benzothiazol-2-amine, AldrichCPR;Z07

Chemical Property of 2-Benzothiazolamine, 4-(trifluoromethyl)-

Chemical Property:

• Vapor Pressure: 0.00076mmHg at 25°C
• Boiling Point: 306.7°C at 760 mmHg
• Flash Point: 139.3°C
• PSA: 67.15000
• Density: 1.536g/cm³
• LogP: 3.47850
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 218.01255383
• Heavy Atom Count: 14
• Complexity: 221

Purity/Quality:

97% ^*data from raw suppliers

4-(trifluoromethyl)-1,3-benzothiazol-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C2C(=C1)SC(=N2)N)C(F)(F)F

Technology Process of 2-Benzothiazolamine, 4-(trifluoromethyl)-

There total 4 articles about 2-Benzothiazolamine, 4-(trifluoromethyl)- 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: 31.0%

2-trifluoromethylphenyl thiourea (1736-71-6) → 4-(trifluoromethyl)benzo[d]thiazol-2-amine (60388-36-5)

Guidance literature:

With sulfuric acid; bromine; at 90 ℃; for 5h;

DOI:10.1002/jps.2600831013

Reference yield:

ammonium thiocyanate (1147550-11-5) + 2-(trifluoromethyl)benzenamine (88-17-5) → 4-(trifluoromethyl)benzo[d]thiazol-2-amine (60388-36-5)

Guidance literature:

With bromine; In acetic acid; at 10 - 20 ℃; for 3h;

DOI:10.1002/ardp.201600003

Reference yield:

2-(trifluoromethyl)benzenamine (88-17-5) → 4-(trifluoromethyl)benzo[d]thiazol-2-amine (60388-36-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 27 percent / conc. HCl / H₂O / 4 h / Heating

2: 31 percent / conc. H₂SO₄, Br₂ / 5 h / 90 °C

With hydrogenchloride; sulfuric acid; bromine; In water;

DOI:10.1002/jps.2600831013

upstream raw materials:

2-trifluoromethylphenyl thiourea

2-(trifluoromethyl)benzenamine

ammonium thiocyanate

Downstream raw materials:

4-(trifluoromethyl)benzothiazole