Basic information
- CAS
505071-95-4- Standard SMILES
O=C(O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1- InChIKey
UVFIGUUIPQNZBK-UHFFFAOYSA-N- Molecular formula
- C12H13ClO4S
- Average molar mass
- 288.75 g/mol
- Monoisotopic mass
- 288.0223078
Names & identifiers
- Preferred name
- 1-(4-Chloro-benzenesulfonyl)-cyclopentane-carboxylic acid
- IUPAC
- 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylic acid
- English name
- 1-(4-Chloro-benzenesulfonyl)-cyclopentane-carboxylic acid
- Molecular formula
- C12H13ClO4S
- Molecular weight
- 288.75
Names & synonyms
505071-95-41-(4-Chloro-benzenesulfonyl)-cyclopentane-carboxylic acid1-((4-Chlorophenyl)sulfonyl)cyclopentanecarboxylic acid1-[(4-chlorophenyl)sulfonyl]cyclopentanecarboxylic acid1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylic acid1-(4-chlorobenzenesulfonyl)cyclopentane-1-carboxylic acidMFCD03701697TimTec1_007198SCHEMBL219728HMS1554H04SBB085395AKOS000300195
Show more names
Cyclopentanecarboxylic acid, 1-[(4-chlorophenyl)sulfonyl]-
ST064956DB-017298EN300-24283G31054AB00750062-01SR-01000326241SR-01000326241-11-((4-Chlorophenyl)sulfonyl)cyclopentanecarboxylicacid
Database identifiers
- CAS
505071-95-4- PubChem CID
- 763196
- EC Number
- 186-791-4
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 412
Physicochemical properties
- Boiling point
- 507.9 · 507.9±50.0 °C(Predicted)
- Density
- 1.453 · 1.453±0.06 g/cm3(Predicted)
- pka
- 2.56 · 2.56±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers1 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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