3-(Hexadecylsulfamoyl)-benzenesulfonyl fluoride
Basic information
- CAS
108045-24-5- Standard SMILES
CCCCCCCCCCCCCCCCNS(=O)(=O)c1cccc(S(=O)(=O)F)c1- InChIKey
VBBIYHGNXKQDEZ-UHFFFAOYSA-N- Molecular formula
- C22H38FNO4S2
- Average molar mass
- 463.7 g/mol
- Monoisotopic mass
- 463.2226292
Names & identifiers
- Preferred name
- 3-(Hexadecylsulfamoyl)-benzenesulfonyl fluoride
- IUPAC
- 3-(hexadecylsulfamoyl)benzenesulfonyl fluoride
- English name
- 3-(hexadecylsulfamoyl)benzene-1-sulfonyl fluoride
- Molecular formula
- C22H38FNO4S2
- Molecular weight
- 463.6698232
Names & synonyms
108045-24-53-(HEXADECYLSULFAMOYL)-BENZENESULFONYL FLUORIDERefChem:495248654-038-33-(N-Hexadecylsulfamoyl)benzene-1-sulfonyl fluorideNSC158093starbld0018152AKOS024429839NSC-158093m-(hexadecyl-sulfamoyl)-benzenesulfonyl fluoride3-(hexadecylsulfamoyl)benzene-1-sulfonyl fluoride
Database identifiers
- CAS
108045-24-5- PubChem CID
- 292373
- EC Number
- 654-038-3
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 18
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 627
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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)
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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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