2-Amino-6-chloro-4-(trifluoromethyl)benzo[d]thiazole

Base Information

• Chemical Name: 2-Amino-6-chloro-4-(trifluoromethyl)benzo[d]thiazole
• CAS No.: 155538-41-3
• Molecular Formula: C8H4ClF3N2S
• Molecular Weight: 252.64400
• Hs Code.: 2934200090
• DSSTox Substance ID: DTXSID80597504
• Wikidata: Q82493060
• Mol file: 155538-41-3.mol

Synonyms:155538-41-3;2-Amino-6-chloro-4-(trifluoromethyl)benzo[d]thiazole;6-Chloro-4-(trifluoromethyl)benzo[d]thiazol-2-amine;6-Chloro-4-(trifluoromethyl)-1,3-benzothiazol-2-amine;DHURNZDLDZXODT-UHFFFAOYSA-N;2-Benzothiazolamine, 6-chloro-4-(trifluoromethyl)-;SCHEMBL8014402;6-Chloro-4-(trifluoromethyl)-1,3-benzothiazol-2-ylamine;DTXSID80597504;MFCD11504895;AKOS015854716;BS-21547;CS-0211027;G11153

Chemical Property of 2-Amino-6-chloro-4-(trifluoromethyl)benzo[d]thiazole

Chemical Property:

• Melting Point: 158 °C
• Boiling Point: 326.3±52.0 °C(Predicted)
• PKA: 0.77±0.10(Predicted)
• PSA: 67.15000
• Density: 1.640±0.06 g/cm3(Predicted)
• LogP: 4.13190
• Storage Temp.: 2-8°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 251.9735815
• Heavy Atom Count: 15
• Complexity: 251

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-6-chloro-4-(trifluoromethyl)benzo[d]thiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C2C(=C1C(F)(F)F)N=C(S2)N)Cl

Technology Process of 2-Amino-6-chloro-4-(trifluoromethyl)benzo[d]thiazole

There total 3 articles about 2-Amino-6-chloro-4-(trifluoromethyl)benzo[d]thiazole 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: 84.0%

→ benzothiazolylazo-QUIN1 Tetraacid + 2-amino-6-chloro-4-trifluoromethyl-1,3-benzothiazole (155538-41-3)

Guidance literature:

Reference yield:

N-(4-chloro-2-trifluoromethylphenyl)thiourea (648415-77-4) → 2-amino-6-chloro-4-trifluoromethyl-1,3-benzothiazole (155538-41-3)

Guidance literature:

With bromine; In chloroform; for 4h; Heating;

DOI:10.1016/j.bmc.2006.04.009

Reference yield:

4-chloro-2-trifluoromethylaniline hydrochloric acid salt → 2-amino-6-chloro-4-trifluoromethyl-1,3-benzothiazole (155538-41-3)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrochloric acid / H₂O / 4 h / Heating

2: bromine / CHCl₃ / 4 h / Heating

With hydrogenchloride; bromine; In chloroform; water;

DOI:10.1016/j.bmc.2006.04.009

upstream raw materials:

N-(4-chloro-2-trifluoromethylphenyl)thiourea

Downstream raw materials:

(7-chloro-3-methyl-5-trifluoromethyl-4H-benzo[1,4]thiazin-2-yl)-m-tolyl-methanone

(7-chloro-3-methyl-5-trifluoromethyl-4H-benzo[1,4]thiazin-2-yl)-(4-chloro-phenyl)-methanone

2-amino-5-chloro-3-(trifluoromethyl)benzenethiol