tert-Butyl 2-(methylsulfonyl)acetate
Basic information
- CAS
70018-13-2- Standard SMILES
CC(C)(C)OC(=O)CS(C)(=O)=O- InChIKey
YJEWKWKAXZRQJE-UHFFFAOYSA-N- Molecular formula
- C7H14O4S
- Average molar mass
- 194.25 g/mol
- Monoisotopic mass
- 194.0612801
Names & identifiers
- Preferred name
- tert-Butyl 2-(methylsulfonyl)acetate
- IUPAC
- tert-butyl 2-methylsulfonylacetate
- English name
- tert-Butyl 2-(methylsulfonyl)acetate
- Molecular formula
- C7H14O4S
- Molecular weight
- 194.25
Names & synonyms
tert-Butyl 2-(methylsulfonyl)acetate70018-13-2tert-butyl 2-methylsulfonylacetateMFCD196323391,1-Dimethylethyl 2-(methylsulfonyl)acetateSCHEMBL10724862DTXSID401261601tert-Butyl (methanesulfonyl)acetatetert-Butyl2-(methylsulfonyl)acetateAKOS013334151AS-41187CS-0210359
Show more names
Acetic acid, 2-(methylsulfonyl)-, 1,1-dimethylethyl ester
F472341
Database identifiers
- CAS
70018-13-2- PubChem CID
- 20187097
- DTXSID
DTXSID401261601
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Boiling point
- 312.8 · 312.8±25.0 °C(Predicted)
- Density
- 1.151 · 1.151±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- HS Code
- 2930909899 · 2930909899
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
- hs_code
- 2930909899
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
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Related reactions
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Compound notes
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