4-Chlorophenyl hexadecyl sulfone
Basic information
- CAS
1806-71-9- Standard SMILES
CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(Cl)cc1- InChIKey
DZQLGPCNQDVJIK-UHFFFAOYSA-N- Molecular formula
- C22H37ClO2S
- Average molar mass
- 401 g/mol
- Monoisotopic mass
- 400.2202793
Names & identifiers
- Preferred name
- 4-Chlorophenyl hexadecyl sulfone
- IUPAC
- 1-chloro-4-hexadecylsulfonylbenzene
- English name
- 1-chloro-4-(hexadecane-1-sulfonyl)benzene
- Molecular formula
- C22H37ClO2S
- Molecular weight
- 401.04598
Names & synonyms
4-CHLOROPHENYL HEXADECYL SULFONERefChem:522030634-035-31806-71-9NSC166342DTXSID60304576AKOS024429175NSC-1663421-Chloro-4-(hexadecane-1-sulfonyl)benzene
Database identifiers
- CAS
1806-71-9- PubChem CID
- 296301
- DTXSID
DTXSID60304576- EC Number
- 634-035-3
Properties
Computed structural properties
- XLogP
- 9.5
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 408
Physicochemical properties
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 413 · H413-H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
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
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P354+P338, P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesEye Dam. 1 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H413-H318
- Precautionary statements
- P280-P305+P351+P338-P310
Suppliers
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Related reactions
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Compound notes
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