1-(p-Toluenesulfonyl)-2-pyrrolidinone
Basic information
- CAS
10019-95-1- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCCC2=O)cc1- InChIKey
AAXCXJDQWSSCHL-UHFFFAOYSA-N- Molecular formula
- C11H13NO3S
- Average molar mass
- 239.29 g/mol
- Monoisotopic mass
- 239.06161445
Names & identifiers
- Preferred name
- 1-(p-Toluenesulfonyl)-2-pyrrolidinone
- IUPAC
- 1-(4-methylphenyl)sulfonylpyrrolidin-2-one
- English name
- N-Tosylpyrrolidone
- Molecular formula
- C11H13NO3S
- Molecular weight
- 239.29
Names & synonyms
10019-95-11-(p-Toluenesulfonyl)-2-pyrrolidinoneDTXSID303402642-Pyrrolidinone, 1-[(4-methylphenyl)sulfonyl]-2-Pyrrolidinone, 1-((4-methylphenyl)sulfonyl)-RefChem:74760DTXCID50291345682-901-4AAXCXJDQWSSCHL-UHFFFAOYSA-N1-Tosylpyrrolidin-2-oneN-tosylpyrrolidone1-(4-methylphenyl)sulfonylpyrrolidin-2-one
Show more names
1-Tosylpyrrolidine-2-one1-(p-Tolylsulfonyl)-2-pyrrolidone1-[(4-METHYLPHENYL)SULFONYL]-2-PYRROLIDONE1-[(4-methylbenzene)sulfonyl]pyrrolidin-2-one
1-(4-methylbenzenesulfonyl)pyrrolidin-2-one1-[(4-methylphenyl)sulfonyl]pyrrolidin-2-one1-(4-Methylbenzene-1-sulfonyl)pyrrolidin-2-oneSCHEMBL7383735HMS5161F20CCG-43354SBB012445STK873960
Database identifiers
- CAS
10019-95-1- PubChem CID
- 563071
- DTXSID
DTXSID30340264- EC Number
- 682-901-4
- Nikkaji
- J307.495A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Melting point
- 144 · 144-145 °C(Solv: ethanol (64-17-5))
- Boiling point
- 382.8 · 382.8±35.0 °C(Predicted)
- Density
- 1.2835 · 1.2835 (rough estimate)
- refractive index
- 1.479 · 1.4790 (estimate)
- pka
- -13.11 · -13.11±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Safety Statements
- 24 · 24/25
- HS Code
- 29339980 · 29339980
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29339980
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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