Basic information
- CAS
105425-26-1- Standard SMILES
CC(=O)N1C(=O)CC[C@H]1C(=O)Cl- InChIKey
YRSMHWPJXBGWBL-YFKPBYRVSA-N- Molecular formula
- C7H8ClNO3
- Average molar mass
- 189.59 g/mol
- Monoisotopic mass
- 189.0192708
Names & identifiers
- Preferred name
- 1-Acetyl-5-oxo-L-prolyl chloride
- IUPAC
- (2S)-1-acetyl-5-oxopyrrolidine-2-carbonyl chloride
- English name
- 2-Pyrrolidinecarbonylchloride,1-acetyl-5-oxo-,(S)-(9CI)
- Molecular formula
- C7H8ClNO3
- Molecular weight
- 189.6
Names & synonyms
105425-26-1(2S)-1-acetyl-5-oxopyrrolidine-2-carbonyl chloride2-Pyrrolidinecarbonylchloride, 1-acetyl-5-oxo-, (S)- (9CI)1-Acetyl-5-oxo-L-prolyl chloride(S)-1-Acetyl-5-oxopyrrolidine-2-carbonyl chlorideSCHEMBL3062470DTXSID80664760EN300-78257952-Pyrrolidinecarbonylchloride,1-acetyl-5-oxo-,(S)-(9CI)
Database identifiers
- CAS
105425-26-1- PubChem CID
- 45081663
- DTXSID
DTXSID80664760
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 320.5 · 320.5±35.0 °C(Predicted)
- Density
- 1.418 · 1.418±0.06 g/cm3(Predicted)
- pka
- -3.76 · -3.76±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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