Basic information
- CAS
15886-84-7- Standard SMILES
CS(=O)(=O)OCCCOS(C)(=O)=O- InChIKey
MAIFZJHANFOZHK-UHFFFAOYSA-N- Molecular formula
- C5H12O6S2
- Average molar mass
- 232.3 g/mol
- Monoisotopic mass
- 232.0075301
Overview
structure
Names & identifiers
- Preferred name
- 1,3-Propanediol, 1,3-dimethanesulfonate
- IUPAC
- 3-methylsulfonyloxypropyl methanesulfonate
- English name
- 1,3-Propanediol dimethanesulfonate
- Molecular formula
- C5H12O6S2
- Molecular weight
- 232.28
Names & synonyms
15886-84-71,3-Propanediol dimethanesulfonateTrimethylene dimethanesulfonate1,3-Dimethanesulphonoxypropane1,3-Propanediol, 1,3-dimethanesulfonateTrimethylene dimethanesulphonatePropane-1,3-dimethanesulfonatePropylenedimethanesulfonate8CH69AK7FWNSC-17017Propane-1,3-di(methylsulfonate)DTXSID50884857
Show more names
CB-2040ENT-59104ENT-51904Trimethylenedimethanesulfonate1,3-Propanediol-1,3-dimethanesulfonate1,3-Propanediol-1,3-dimethanesulfonate, tech
Dimethanesulfonate-1,3-propanediolRefChem:72925DTXCID101024278Propylene dimethanesulfonate3-(METHANESULFONYLOXY)PROPYL METHANESULFONATE1:3-Dimethanesulfonoxypropane3-methylsulfonyloxypropyl methanesulfonateENT 51904
Database identifiers
- CAS
15886-84-7- PubChem CID
- 27532
- DTXSID
DTXSID50884857- ChEMBL
CHEMBL2006588- UNII
- 8CH69AK7FW
- Nikkaji
- J14.483E
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Melting point
- 38 · 38-39 °C
- Boiling point
- 344.44 °C · 344.44°C (rough estimate)
- Density
- 1.348 · 1.348 (estimate)
- refractive index
- 1.563 · 1.5630 (estimate)
- FDA UNII
- 8 CH69AK7FW · 8CH69AK7FW
- EPA Substance Registry System
- 1 · 1,3-Propanediol dimethanesulfonate (15886-84-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
Hazard information
Regulatory InformationChemical: 1,3-Propanediol, dimethanesulfonate
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Propanediol, 1,3-dimethanesulfonate: INACTIVE
Applications
Uses3-(Methanesulfonyloxy)propyl Methanesulfonate is a useful research chemical compound used in the cyclocondensation with dilithium phenylphosphide to give phenylphosphetanein the synthesis of chiral phosphetanes.
Suppliers9 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
中科品晟（大连）新材料有限公司18841123239 · [email protected]
常州英飒医药科技有限公司15151934985 · [email protected]
Zhengzhou Lingzhiyue Technology Co., Ltd+86-0371-55074660 +86-13523716970 · [email protected]
Related reactions
1 records
Compound notes
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