Benzoxazolium, 3-ethyl-2-methyl-5-sulfo-, inner salt

Base Information

• Chemical Name: Benzoxazolium, 3-ethyl-2-methyl-5-sulfo-, inner salt
• CAS No.: 63148-99-2
• Molecular Formula: C10H11NO4S
• Molecular Weight: 241.268
• European Community (EC) Number: 263-948-6
• UNII: RG8C57O2G9
• DSSTox Substance ID: DTXSID3069726
• Wikidata: Q81996729
• Mol file: 63148-99-2.mol

Synonyms:Benzoxazolium, 3-ethyl-2-methyl-5-sulfo-, inner salt;63148-99-2;3-Ethyl-2-methyl-5-sulphonatobenzoxazolium;RG8C57O2G9;EINECS 263-948-6;Benzoxazolium, 3-ethyl-2-methyl-5-sulfo-, hydroxide, inner salt;C10H11NO4S;C10-H11-N-O4-S;UNII-RG8C57O2G9;DTXSID3069726

Chemical Property of Benzoxazolium, 3-ethyl-2-methyl-5-sulfo-, inner salt

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 82.60000
• Density: g/cm³
• LogP: 2.03350
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 241.04087901
• Heavy Atom Count: 16
• Complexity: 337

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(OC2=C1C=C(C=C2)S(=O)(=O)[O-])C

Technology Process of Benzoxazolium, 3-ethyl-2-methyl-5-sulfo-, inner salt

There total 1 articles about Benzoxazolium, 3-ethyl-2-methyl-5-sulfo-, 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:

2-methyl-3-ethyl-benzoxazolium tosylate (60126-36-5) → C10H11NO4S (63148-99-2) + C10H11NO4S (1428546-37-5)

Guidance literature:

With sulfuric acid; at 20 - 50 ℃; for 5h; Overall yield = 41 %; Overall yield = 0.1 g;

upstream raw materials:

2-methyl-3-ethyl-benzoxazolium tosylate

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