Dimethyl 3,3'-sulfonyldipropionate
Basic information
- CAS
5450-67-9- Standard SMILES
COC(=O)CCS(=O)(=O)CCC(=O)OC- InChIKey
SOXWILJBXODYRC-UHFFFAOYSA-N- Molecular formula
- C8H14O6S
- Average molar mass
- 238.26 g/mol
- Monoisotopic mass
- 238.05110934
Names & identifiers
- Preferred name
- Dimethyl 3,3'-sulfonyldipropionate
- IUPAC
- methyl 3-(3-methoxy-3-oxopropyl)sulfonylpropanoate
- English name
- 3,3'-Sulfonylbis(propionic acid methyl) ester
- Molecular formula
- C8H14O6S
- Molecular weight
- 238.26
Names & synonyms
DIMETHYL 3,3'-SULFONYLDIPROPIONATERefChem:588161667-466-0dimethyl 3,3'-sulfonyldipropanoate5450-67-9methyl 3-(3-methoxy-3-oxopropyl)sulfonylpropanoateNSC8175dimethyl3,3'-sulfonyldipropanoateDTXSID00278540NSC-8175AKOS009811182dimethyl3,3'-sulfonyldipropionate
Show more names
3,3'-Sulfonyldipropionic acid dimethyl ester3,3'-Sulfonylbis(propionic acid methyl) esterPropanoic acid, 3,3'-sulfonylbis-, dimethyl ester (9CI)
Database identifiers
- CAS
5450-67-9- PubChem CID
- 222302
- DTXSID
DTXSID00278540- EC Number
- 667-466-0
- Nikkaji
- J265.548I
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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 Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…