Basic information
- CAS
52821-30-4- Standard SMILES
CCCCCCCCCCCCS(=O)(=O)CC#N- InChIKey
BHYJQQBWODSXQS-UHFFFAOYSA-N- Molecular formula
- C14H27NO2S
- Average molar mass
- 273.44 g/mol
- Monoisotopic mass
- 273.1762501
Names & identifiers
- Preferred name
- (Dodecylsulphonyl)acetonitrile
- IUPAC
- 2-dodecylsulfonylacetonitrile
- English name
- (dodecylsulphonyl)acetonitrile
- Molecular formula
- C14H27NO2S
- Molecular weight
- 273.43
Names & synonyms
Acetonitrile, (dodecylsulfonyl)-(Dodecylsulphonyl)acetonitrileAcetonitrile, 2-(dodecylsulfonyl)-75J3UU28GCEINECS 258-204-2DTXSID00688102-(DODECYLSULFONYL)ACETONITRILERefChem:196541DTXCID5041306258-204-252821-30-4dodecylsulfonylacetonitrile
Show more names
(Dodecylsulfonyl)acetonitrile
UNII-75J3UU28GCSCHEMBL11821915(Dodecane-1-sulfonyl)acetonitrileNS00057206
Database identifiers
- CAS
52821-30-4- PubChem CID
- 104334
- DTXSID
DTXSID0068810- UNII
- 75J3UU28GC
- EC Number
- 258-204-2
- Nikkaji
- J295.810D
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 66.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Boiling point
- 433.7 · 433.7±28.0 °C(Predicted)
- Density
- 0.997 · 0.997±0.06 g/cm3(Predicted)
- FDA UNII
- 75 J3UU28GC · 75J3UU28GC
- EPA Substance Registry System
- Acetonitrile, (dodecylsulfonyl)- (52821-30-4)
- 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 InformationAcetonitrile, 2-(dodecylsulfonyl)-: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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