8-Quinolinyl trifluoromethanesulfonate
Basic information
- CAS
108530-08-1- Standard SMILES
O=S(=O)(Oc1cccc2cccnc12)C(F)(F)F- InChIKey
YUWOECMFUBVGSE-UHFFFAOYSA-N- Molecular formula
- C10H6F3NO3S
- Average molar mass
- 277.22 g/mol
- Monoisotopic mass
- 277.00204871
Names & identifiers
- Preferred name
- 8-Quinolinyl trifluoromethanesulfonate
- IUPAC
- quinolin-8-yl trifluoromethanesulfonate
- English name
- 8-Quinolinyl triflate
- Molecular formula
- C10H6F3NO3S
- Molecular weight
- 277.22
Names & synonyms
8-Quinolinyl trifluoromethanesulfonateRefChem:548429622-900-8quinolin-8-yl trifluoromethanesulfonate108530-08-18-Quinolinyl triflate8-Quinolyl triflateMethanesulfonic acid, 1,1,1-trifluoro-, 8-quinolinyl ester8-QUINOLINYLTRIFLATESCHEMBL249779DTXSID903947638-quinolyl trifluoromethanesulfonate
Show more names
8-trifluoromethanesulfonyloxyquinolineMFCD00274222STL257102AKOS0159932298-quinolinyl trifluoromethane-sulphonatequinolin-8-yl trifluoro-methanesulfonate8-Quinolinyl trifluoroMethanesulfonate,97%CS-0335450
Database identifiers
- CAS
108530-08-1- PubChem CID
- 3660089
- DTXSID
DTXSID90394763- EC Number
- 622-900-8
- Nikkaji
- J378.594G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Melting point
- 65 · 65-68 °C(lit.)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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 39 reports by companies from 2 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
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
3 records
Compound notes
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