2-Amino-4-chloro-6-fluorobenzothiazole

Base Information

• Chemical Name: 2-Amino-4-chloro-6-fluorobenzothiazole
• CAS No.: 210834-98-3
• Molecular Formula: C7H4 Cl F N2 S
• Molecular Weight: 202.64
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20478727
• Wikidata: Q82312288
• Mol file: 210834-98-3.mol

Synonyms:210834-98-3;2-Amino-4-chloro-6-fluorobenzothiazole;4-chloro-6-fluoro-1,3-benzothiazol-2-amine;4-Chloro-6-fluorobenzo[d]thiazol-2-amine;2-Benzothiazolamine,4-chloro-6-fluoro-(9CI);SCHEMBL8309525;DTXSID20478727;TYFVRZURNJXRTK-UHFFFAOYSA-N;MFCD09475479;AKOS002344341;CCG-320930;2-benzothiazolamine,4-chloro-6-fluoro-;2-benzothiazolamine, 4-chloro-6-fluoro-;BS-37499;CS-0117651;4-chloro-6-fluoro-1, 3-benzothiazol-2-amine;J-013832;4-Chloro-6-fluoro-1,3-benzothiazol-2-amine, AldrichCPR

Chemical Property of 2-Amino-4-chloro-6-fluorobenzothiazole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 205-210℃
• Refractive Index: 1.729
• Boiling Point: 340.39°C at 760 mmHg
• PKA: 1.97±0.10(Predicted)
• Flash Point: 159.662°C
• PSA: 67.15000
• Density: 1.625g/cm³
• LogP: 3.25220
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 201.9767752
• Heavy Atom Count: 12
• Complexity: 183

Purity/Quality:

98%min ^*data from raw suppliers

4-Chloro-6-fluoro-1,3-benzothiazol-2-amine ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C2=C1SC(=N2)N)Cl)F

Technology Process of 2-Amino-4-chloro-6-fluorobenzothiazole

There total 3 articles about 2-Amino-4-chloro-6-fluorobenzothiazole 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: 75.2%

2-chloro-4-fluoroaniline (2106-02-7) + potassium thioacyanate (333-20-0) → 2-amino-4-chloro-6-fluorobenzothiazole (210834-98-3)

Guidance literature:

With bromine; In acetic acid; for 1h;

DOI:10.1002/jhet.5570410520

Reference yield: 72.0%

2-chloro-4-fluoroaniline (2106-02-7) + ammonium thiocyanate (1147550-11-5) → 2-amino-4-chloro-6-fluorobenzothiazole (210834-98-3)

Guidance literature:

With mono(N,N,N-trimethylbenzenaminium) tribromide; at 20 ℃; for 16h;

Reference yield:

2-chloro-4-fluoroaniline (2106-02-7) → 2-amino-4-chloro-6-fluorobenzothiazole (210834-98-3)

Guidance literature:

upstream raw materials:

2-chloro-4-fluoroaniline

potassium thioacyanate

ammonium thiocyanate

Downstream raw materials:

2-Amino-3-chloro-5-fluorobenzenethiol

5-chloro-7-fluoro-2-phenyl-2H-1,4-benzothiazin-3(4H)-one

5-chloro-7-fluoro-3-phenyl-3,4-dihydro-2H-1,4-benzothiazine

Refernces

• 1、 -. "BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS". Page/Page column 688; 690. . Retrieved 2018/03/25.
• 2、 -. "Substituted benzothiazols with herbicidal action". . . Retrieved 2008/06/13.