3-Chloro-2-ethyl-1,2-benzisothiazolium chloride

Base Information

• Chemical Name: 3-Chloro-2-ethyl-1,2-benzisothiazolium chloride
• CAS No.: 7765-82-4
• Molecular Formula: C9H9 Cl N S . Cl
• Molecular Weight: 234.149
• European Community (EC) Number: 231-859-1
• UNII: NRL576H6MQ
• DSSTox Substance ID: DTXSID10228298
• Mol file: 7765-82-4.mol

Synonyms:3-Chloro-2-ethyl-1,2-benzisothiazolium chloride;7765-82-4;EINECS 231-859-1;NRL576H6MQ;SCHEMBL11518316;DTXSID10228298;NS00045793;1,2-Benzisothiazolium, 3-chloro-2-ethyl-, chloride;1,2-Benzisothiazolium, 3-chloro-2-ethyl-, chloride (1:1)

Chemical Property of 3-Chloro-2-ethyl-1,2-benzisothiazolium chloride

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 33.17000
• Density: g/cm³
• LogP: -0.19200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 232.9832759
• Heavy Atom Count: 13
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[N+]1=C(C2=CC=CC=C2S1)Cl.[Cl-]

Technology Process of 3-Chloro-2-ethyl-1,2-benzisothiazolium chloride

There total 1 articles about 3-Chloro-2-ethyl-1,2-benzisothiazolium chloride 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:

→ 3-chloro-2-ethyl-benzo[d]isothiazolium; chloride (7765-82-4)

Guidance literature:

/BRN= 31579/, PCl5/abs.Benzol/Siedetemp.;

Reference yield: 70.0%

3-chloro-2-ethyl-benzo[d]isothiazolium; chloride (7765-82-4) + 4-amino-N,N-dimethylaniline (99-98-9) → 3-<4-(Dimethylamino)phenylimino>-2-ethyl-1,2-benzisothiazolin (75190-28-2)

Guidance literature:

With triethylamine; In ethanol; -25 deg C to room temp.;

Reference yield: 63.0%

4-amino-phenol (123-30-8) + 3-chloro-2-ethyl-benzo[d]isothiazolium; chloride (7765-82-4) → 2-Ethyl-3-(4-hydroxyphenylimino)-1,2-benzisothiazolin (75190-26-0)

Guidance literature:

With triethylamine; In ethanol; -25 deg C to room temp.;

Downstream raw materials:

3-(3,4-dimethyl-phenoxy)-benzo[d]isothiazole

3-(2-chloro-phenylsulfanyl)-benzo[d]isothiazole

4-benzo[d]isothiazol-3-yl-3-methoxy-phenol

2-ethyl-3-(4-hydroxy-2-methoxy-phenyl)-benzo[d]isothiazolium; chloride