Basic information
- CAS
2514-52-5- Standard SMILES
O=C1C(Cl)=C(Cl)C(Cl)(Cl)C1(Cl)Cl- InChIKey
QFIIFFRWCNYRLM-UHFFFAOYSA-N- Molecular formula
- C5Cl6O
- Average molar mass
- 288.8 g/mol
- Monoisotopic mass
- 285.808031
Names & identifiers
- Preferred name
- 2,3,4,4,5,5-Hexachloro-2-cyclopenten-1-one
- IUPAC
- 2,3,4,4,5,5-hexachlorocyclopent-2-en-1-one
Names & synonyms
2514-52-52,3,4,4,5,5-Hexachloro-2-cyclopenten-1-oneRefChem:10591742-Cyclopenten-1-one, 2,3,4,4,5,5-hexachloro-2,3,4,4,5,5-hexachlorocyclopent-2-en-1-onePerchloro-2-cyclopentenoneHexachloro-2-cyclopentenone2-Cyclopenten-1-one,3,4,4,5,5-hexachloro-Hexachloro-delta(sup 2)-cyclopentenoneAI3-27069NSC54734hexachlorocyclopentenone
Show more names
2-Cyclopenten-1-one, 2,3,4,5,5-hexachloro-NCIOpen2_002208NCIOpen2_002851DTXSID0073297SCHEMBL114945582-Cyclopenten-1-one, hexachloro-NSC41893NSC61284
Database identifiers
- CAS
2514-52-5- PubChem CID
- 75643
- DTXSID
DTXSID0073297- EC Number
- 114-169-4
- Nikkaji
- J657.495E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 278
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…