1-(2-Chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
Basic information
- CAS
91349-19-8- Standard SMILES
O=C(O)C1CC(=O)N(c2ccccc2Cl)C1- InChIKey
ACCRKQWGKXZJPM-UHFFFAOYSA-N- Molecular formula
- C11H10ClNO3
- Average molar mass
- 239.65 g/mol
- Monoisotopic mass
- 239.0349209
Names & identifiers
- Preferred name
- 1-(2-Chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
- IUPAC
- 1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
- English name
- 1-(2-CHLOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXYLIC ACID
- Molecular formula
- C11H10ClNO3
- Molecular weight
- 239.65
Names & synonyms
1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid91349-19-8DTXSID30387432RefChem:421897DTXCID80338454979-601-3MFCD011417671-(2-Chlorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid3-Pyrrolidinecarboxylic acid, 1-(2-chlorophenyl)-5-oxo-Oprea1_394419Oprea1_5284921-(2-chlorophenyl)-5-oxo-pyrrolidine-3-carboxylic acid
Show more names
1-(2-chlorophenyl)-5-keto-pyrrolidine-3-carboxylic acid
NIOSH/UY0367100SCHEMBL27599117SMSSF-0044216ALBB-010537BBL022403SBB045172STK015350AKOS000118619
Database identifiers
- CAS
91349-19-8- PubChem CID
- 2889673
- DTXSID
DTXSID30387432- EC Number
- 979-601-3
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Melting point
- 144 · 144-145 °C
- Boiling point
- 516.1 · 516.1±45.0 °C(Predicted)
- Density
- 1.455 · 1.455±0.06 g/cm3(Predicted)
- pka
- 4.29 · 4.29±0.20(Predicted)
- HazardClass
- IRRITANT
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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