Benzoxazolium, 2-methyl-5-phenyl-3-(3-sulfopropyl)-, inner salt

Base Information

Chemical Name:Benzoxazolium, 2-methyl-5-phenyl-3-(3-sulfopropyl)-, inner salt
CAS No.:66142-15-2
Molecular Formula:C17H17NO4S
Molecular Weight:331.392
Hs Code.:
European Community (EC) Number:266-175-2
DSSTox Substance ID:DTXSID4070407
Wikidata:Q81997693
Mol file:66142-15-2.mol

Synonyms:66142-15-2;Benzoxazolium, 2-methyl-5-phenyl-3-(3-sulfopropyl)-, inner salt;2-Methyl-5-phenyl-3-(3-sulfopropyl)benzoxazolium hydroxide inner salt;3-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)propane-1-sulfonate;EINECS 266-175-2;3-(2-Methyl-5-phenylbenzo[d]oxazol-3-ium-3-yl)propane-1-sulfonate;2-METHYL-5-PHENYL-3-(3-SULFOPROPYL)BENZOXAZOLIUM HYDROXIDE, INNER SALT;C17H17NO4S;2-Methyl-5-phenyl-3-(3-sulfopropyl)benzoxazolium inner salt;3-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)-1-propanesulfonate;Anhydro-2-methyl-5-phenyl-3-(3-sulfopropyl)benzoxazolium hydroxide;SCHEMBL7253428;DTXSID4070407;MFCD00142941;STK396353;AKOS000546719;FT-0612986;2-Methyl-5-phenyl-3-(3-sulphonatopropyl)benzoxazolium;2-Methyl-5-phenyl-N-(3-sulfopropylbenzoxazoliumbetaine;2-METHYL-5-PHENYL-3-(3-SULFONATOPROPYL)-1,3-BENZOXAZOL-3-IUM;2-Methyl-5-phenyl-3-(3-sulfopropyl)benzoxazolium hydroxide,inner salt;Benzoxazolium, 2-methyl-5-phenyl-3-(3-sulfopropyl)-, hydroxide, inner salt

Suppliers and Price of Benzoxazolium, 2-methyl-5-phenyl-3-(3-sulfopropyl)-, inner salt

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

Sigma-Aldrich
2-Methyl-5-phenyl-3-(3-sulfopropyl)benzoxazolium hydroxide inner salt
1g
$ 80.30

Total 13 raw suppliers

Chemical Property of Benzoxazolium, 2-methyl-5-phenyl-3-(3-sulfopropyl)-, inner salt

Chemical Property:

Melting Point:286-288oC(lit.)
PSA：82.60000
LogP:3.71180
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:331.08782920
Heavy Atom Count:23
Complexity:470

Purity/Quality:

99% ^*data from raw suppliers

2-Methyl-5-phenyl-3-(3-sulfopropyl)benzoxazolium hydroxide inner salt ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)[O-]

Technology Process of Benzoxazolium, 2-methyl-5-phenyl-3-(3-sulfopropyl)-, inner salt

There total 2 articles about Benzoxazolium, 2-methyl-5-phenyl-3-(3-sulfopropyl)-, inner salt 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: 85.0%