3-Chloro-1-methylpyrrolidin-2-one
Basic information
- CAS
208585-67-5- Standard SMILES
CN1CCC(Cl)C1=O- InChIKey
PQKMUKHMGLBPKG-UHFFFAOYSA-N- Molecular formula
- C5H8ClNO
- Average molar mass
- 133.57 g/mol
- Monoisotopic mass
- 133.0294416
Names & identifiers
- Preferred name
- 3-Chloro-1-methylpyrrolidin-2-one
- IUPAC
- 3-chloro-1-methylpyrrolidin-2-one
- English name
- 3-chloro-1-Methyl-2-Pyrrolidinone
- Molecular formula
- C5H8ClNO
- Molecular weight
- 133.57612
Names & synonyms
3-chloro-1-methylpyrrolidin-2-one208585-67-5RefChem:499640835-367-33-CHLORO-1-METHYL-2-PYRROLIDINONEchloro-methylpyrrolidoneSCHEMBL2038869SCHEMBL2038952SCHEMBL9825169IIA58567AKOS026737780EN300-98648
Database identifiers
- CAS
208585-67-5- PubChem CID
- 20042790
- EC Number
- 835-367-3
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 115
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H303-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P312
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
H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P271, P280, P301+P317, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 5 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H303-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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