2-Cyclopenten-1-one, 3-chloro-
Basic information
- CAS
53102-14-0- Standard SMILES
O=C1C=C(Cl)CC1- InChIKey
KGKOCLPNPRMNSQ-UHFFFAOYSA-N- Molecular formula
- C5H5ClO
- Average molar mass
- 116.54 g/mol
- Monoisotopic mass
- 116.0028925
Names & identifiers
- Preferred name
- 2-Cyclopenten-1-one, 3-chloro-
- IUPAC
- 3-chlorocyclopent-2-en-1-one
- English name
- 3-Chloro-2-cyclopenten-1-one
- Molecular formula
- C5H5ClO
- Molecular weight
- 116.55
Names & synonyms
53102-14-02-Cyclopenten-1-one, 3-chloro-DTXSID3075252RefChem:86642DTXCID0041359KGKOCLPNPRMNSQ-UHFFFAOYSA-N3-chlorocyclopent-2-en-1-one3-chlorocyclopent-2-enone3-CHLORO-2-CYCLOPENTEN-1-ONEMFCD11982991C5H5ClO3-Chloro-cyclopent-2-enone
Show more names
SCHEMBL14643523-Chloro-2-cyclopenten-1-one #STK653009AKOS004900360VS-110053-Chloro-2-cyclopenten-1-one, AldrichCPRDB-304501CS-0239841
Database identifiers
- CAS
53102-14-0- PubChem CID
- 40616
- DTXSID
DTXSID3075252- EC Number
- 888-232-6
- Nikkaji
- J125.119H
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Boiling point
- 71 · 71-73 °C(Press: 15 Torr)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- EPA Substance Registry System
- 2 · 2-Cyclopenten-1-one, 3-chloro- (53102-14-0)
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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 CategoriesFlam. Liq. 4 (100%)
Related reactions
4 records
Compound notes
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