Trans-2-chlorocyclopentyl P-tolyl sulfone
Basic information
- CAS
91767-59-8- Standard SMILES
Cc1ccc(S(=O)(=O)C2CCCC2Cl)cc1- InChIKey
ODICXHKSKRSPEO-UHFFFAOYSA-N- Molecular formula
- C12H15ClO2S
- Average molar mass
- 258.76 g/mol
- Monoisotopic mass
- 258.0481286
Names & identifiers
- Preferred name
- Trans-2-chlorocyclopentyl P-tolyl sulfone
- IUPAC
- 1-(2-chlorocyclopentyl)sulfonyl-4-methylbenzene
- English name
- 1-[(2-chlorocyclopentyl)sulfonyl]-4-methylbenzene
- Molecular formula
- C12H15ClO2S
- Molecular weight
- 258.77
Names & synonyms
TRANS-2-CHLOROCYCLOPENTYL P-TOLYL SULFONERefChem:89875691767-59-8661-740-3NSC108280AKOS024324805NSC-1082801-[(2-chlorocyclopentyl)sulfonyl]-4-methylbenzene
Database identifiers
- CAS
91767-59-8- PubChem CID
- 268161
- EC Number
- 661-740-3
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 325
Physicochemical properties
- Boiling point
- 429.422 · 429.422±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.281 · 1.281±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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