4-Chloro-1-(pyrrolidin-1-yl)butan-1-one
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Basic information
- CAS
122867-43-0- Standard SMILES
O=C(CCCCl)N1CCCC1- InChIKey
OWZIEPLJGKVJOC-UHFFFAOYSA-N- Molecular formula
- C8H14ClNO
- Average molar mass
- 175.65 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-1-(pyrrolidin-1-yl)butan-1-one
- IUPAC
- 4-chloro-1-pyrrolidin-1-ylbutan-1-one
Names & synonyms
4-chloro-1-(pyrrolidin-1-yl)butan-1-one122867-43-0RefChem:520749855-500-91-(4-chloro-1-oxobutyl)pyrrolidineNSC195007SCHEMBL7300659OWZIEPLJGKVJOC-UHFFFAOYSA-N1(4-chloro-1-oxobutyl)pyrrolidineMFCD03362410AKOS000147071NSC-195007
Show more names
4-Chloro-1-(1-pyrrolidinyl)-1-butanoneSY463990CS-0259330G39526EN300-7300104
Database identifiers
- CAS
122867-43-0- PubChem CID
- 304079
- EC Number
- 855-500-9
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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. 4 (100%)
Related reactions
9 records
Compound notes
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