Benzoxazolium, 5-chloro-3-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1)
Basic information
- CAS
63512-20-9- Standard SMILES
CC[n+]1c(C)oc2ccc(Cl)cc21.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
JHXRZBGGUAYINO-UHFFFAOYSA-M- Molecular formula
- C17H18ClNO4S
- Average molar mass
- 367.8 g/mol
- Monoisotopic mass
- 367.0645069
Names & identifiers
- Preferred name
- Benzoxazolium, 5-chloro-3-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1)
- IUPAC
- 5-chloro-3-ethyl-2-methyl-1,3-benzoxazol-3-ium;4-methylbenzenesulfonate
- English name
- 5-chloro-3-ethyl-2-methylbenzoxazolium p-toluenesulphonate
- Molecular formula
- C17H18ClNO4S
- Molecular weight
- 367.84712
Names & synonyms
63512-20-9EINECS 264-280-8Benzoxazolium, 5-chloro-3-ethyl-2-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)DTXSID0069915Benzoxazolium, 5-chloro-3-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1)RefChem:118758DTXCID30439465-Chloro-3-ethyl-2-methylbenzoxazolium p-toluenesulphonateSCHEMBL8868463JHXRZBGGUAYINO-UHFFFAOYSA-MDB-219448NS00054841
Show more names
5-Chloro-3-ethyl-2-methyl-1,3-benzoxazol-3-ium 4-methylbenzene-1-sulfonate
Database identifiers
- CAS
63512-20-9- PubChem CID
- 113308
- DTXSID
DTXSID0069915- EC Number
- 264-280-8
Properties
Computed structural properties
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 381
Physicochemical properties
- EPA Substance Registry System
- 5 · Benzoxazolium, 5-chloro-3-ethyl-2-methyl-, salt with 4-methylbenzenesulfonic acid (1:1) (63512-20-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoxazolium, 5-chloro-3-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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