5-Mesylbenzoxazol-2(3H)-one
Basic information
- CAS
13920-98-4- Standard SMILES
CS(=O)(=O)c1ccc2oc(=O)[nH]c2c1- InChIKey
QUKRTJQSGPLQKQ-UHFFFAOYSA-N- Molecular formula
- C8H7NO4S
- Average molar mass
- 213.21 g/mol
- Monoisotopic mass
- 213.00957888
Names & identifiers
- Preferred name
- 5-Mesylbenzoxazol-2(3H)-one
- IUPAC
- 5-methylsulfonyl-3H-1,3-benzoxazol-2-one
- English name
- 2-Benzoxazolone-5-methylsulfone
- Molecular formula
- C8H7NO4S
- Molecular weight
- 213.21
Names & synonyms
13920-98-45-Mesylbenzoxazol-2(3H)-oneEINECS 237-688-9DTXSID80160959RefChem:536515DTXCID6083450237-688-95-(Methylsulfonyl)benzo[d]oxazol-2(3H)-one2-BENZOXAZOLONE-5-METHYLSULFONE5-methylsulfonyl-3H-1,3-benzoxazol-2-oneMFCD026829842(3H)-Benzoxazolone, 5-(methylsulfonyl)-
Show more names
5-(methylsulfonyl)-1,3-benzoxazol-2(3H)-one（WS205119）3-[[(2-chloroethylamino)-oxomethyl]amino]benzenesulfonyl fluoride
5-(Methylsulfonyl)benzoxazol-2(3H)-one2- Benzoxazolone-5-methylsulfone5-(methylsulfonyl)-2(3H)-Benzoxazolone5-(Methylsulfonyl)-1,3-benzoxazol-2(3H)-one2-Benzoxazolinone, 5-methylsulfonyl-AKOS017549514AS-50041SY320159
Database identifiers
- CAS
13920-98-4- PubChem CID
- 84104
- DTXSID
DTXSID80160959- EC Number
- 237-688-9
- Nikkaji
- J280.370D
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Melting point
- 223 · 223-224 °C(Solv: water (7732-18-5))
- Density
- 1.481 · 1.481±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.23 · 8.23±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory InformationREACH registered substance: 5-mesylbenzoxazol-2(3H)-one (EC: 237-688-9)
Hazard Classes and CategoriesNot Classified
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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