Basic information
- CAS
618070-35-2- Standard SMILES
O=C(O)C1CCN(c2cccc(Cl)c2)C1=O- InChIKey
KDULWPXRFVQNQN-UHFFFAOYSA-N- Molecular formula
- C11H10ClNO3
- Average molar mass
- 239.65 g/mol
Names & identifiers
- Preferred name
- 1-(3-Chlorophenyl)-2-oxo-3-pyrrolidinecarboxylic acid
- IUPAC
- 1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid
- English name
- 1-(3-Chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid
- Molecular formula
- C11H10ClNO3
- Molecular weight
- 239.65
Names & synonyms
618070-35-21-(3-chlorophenyl)-2-oxo-3-pyrrolidinecarboxylic acidRefChem:423621632-209-31-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acidSCHEMBL8929361-(3-chlorophenyl)-2-oxo-pyrrolidine-3-carboxylic AcidKDULWPXRFVQNQN-UHFFFAOYSA-NMFCD03932880AKOS000169756AKOS022203214DA-04377
Show more names
OTAVA-BB 1084282SALOR-INT L183040-1EA3-Pyrrolidinecarboxylic acid, 1-(3-chlorophenyl)-2-oxo-JR-6459, 1-(3-Chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid, 97%
CS-0264052EN300-916071-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxylicacidZ285921860
Database identifiers
- CAS
618070-35-2- PubChem CID
- 4122939
- EC Number
- 632-209-3
Properties
Computed structural properties
- XLogP
- 2.3
- 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
- Boiling point
- 540.9 · 540.9±45.0 °C(Predicted)
- Density
- 1.455 · 1.455±0.06 g/cm3(Predicted)
- pka
- 3.24 · 3.24±0.20(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H335-H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H315-H319-H335-H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers5 total
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Related reactions
2 records
Compound notes
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