1-(Phenylsulfonyl)pyrrolidine
Basic information
- CAS
5033-22-7- Standard SMILES
O=S(=O)(c1ccccc1)N1CCCC1- InChIKey
DSWRVRWIXRRDLN-UHFFFAOYSA-N- Molecular formula
- C10H13NO2S
- Average molar mass
- 211.28 g/mol
- Monoisotopic mass
- 211.06669983
Names & identifiers
- Preferred name
- 1-(Phenylsulfonyl)pyrrolidine
- IUPAC
- 1-(benzenesulfonyl)pyrrolidine
- English name
- (Pyrrolidinyl)(phenyl)sulfone
- Molecular formula
- C10H13NO2S
- Molecular weight
- 211.28
Names & synonyms
1-(phenylsulfonyl)pyrrolidine5033-22-71-(benzenesulfonyl)pyrrolidineMFCD01055979(Pyrrolidinyl)(phenyl)sulfone1-(Phenylsulphonyl)pyrrolidine1-Benzenesulfonyl-pyrrolidineNSC58725(phenylsulfonyl)pyrrolidineA1C1LN-benzenesulfonyl pyrrolidineCHEMBL445438
Show more names
(Pyrrolidinyl)(phenyl)sulphonePyrrolidine, 1-(phenylsulfonyl)-(Pyrrolidin-1-yl)(phenyl)sulphone
SCHEMBL1229961SCHEMBL1419573SCHEMBL1988224SCHEMBL3316800SCHEMBL6003121SCHEMBL6805741SCHEMBL17911166DTXSID00289055
Database identifiers
- CAS
5033-22-7- PubChem CID
- 246138
- DTXSID
DTXSID00289055- ChEMBL
CHEMBL445438- Nikkaji
- J375.004C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 269
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP2.2
Physicochemical properties
- Melting point
- 46 · 46-47°C
- Boiling point
- 92 · 92-96 °C(Press: 0.04 Torr)
- Density
- 1.2077 g/cm3 · 1.2077 g/cm3
- storage temp.
- 2 · Sealed in dry,2-8°C
- form
- solid
- pka
- -4.91 · -4.91±0.20(Predicted)
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280
- Hazard Codes
- Xi
- HS Code
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
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Hazard statements
- H302-H317
- Precautionary statements
- P280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…