CAS 6401-00-9 2,2,3,3,3-Pentafluoropropyl trifluoromethanesulfonate (HCID 2776019)

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Basic information

CAS: 6401-00-9
Standard SMILES: O=S(=O)(OCC(F)(F)C(F)(F)F)C(F)(F)F
InChIKey: QHZUUSNAUOEJBB-UHFFFAOYSA-N
Molecular formula: C4H2F8O3S
Average molar mass: 282.11 g/mol
Monoisotopic mass: 281.95969039

Names & identifiers

Preferred name: 2,2,3,3,3-Pentafluoropropyl trifluoromethanesulfonate
IUPAC: 2,2,3,3,3-pentafluoropropyl trifluoromethanesulfonate
English name: 2,2,3,3,3-Pentafluoropropyl trifluoromethanesulfonate
Molecular formula: C4H2F8O3S
Molecular weight: 282.11

Names & synonyms

2,2,3,3,3-pentafluoropropyl trifluoromethanesulfonateRefChem:440575805-616-06401-00-9C4H2F8O3S2,2,3,3,3-Pentafluoropropyl triflateMFCD018620062,2,3,3,3-Pentafluoropropyltriflate3H,3H-Perfluoropropyl triflateMethanesulfonic acid, 1,1,1-trifluoro-, 2,2,3,3,3-pentafluoropropyl ester2,2,3,3,3-PENTAFLUOROPROPYLTRIFLUOROMETHANESULFONATESCHEMBL694351

Show more names

2,2,3,3,3-PENTAFLUOROPROPYL TRIFLUOROMETHANESULPHONATE2,2,3,3,3-Pentafluoroprop-1-yl trifluoromethanesulphonate2,2,3,3,3-Pentafluoroprop-1-yltrifluoromethanesulphonate97%2,2,3,3,3-Pentafluoroprop-1-yl trifluoromethanesulphonate 97%

SKL167DTXSID60379769AKOS015853026Methanesulfonic acid,1,1,1-trifluoro-, 2,2,3,3,3-pentafluoropropyl ester2,2,3,3,3,-pentafluoropropyl triflateAS-939282,2,3,3,3-Pentafluoroprop-1-yl triflateEN300-781713

Database identifiers

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 11
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 332

Physicochemical properties

Boiling point: 102 · 102-105°C
Density: 1.702 g/ml · 1.702g/ml
refractive index: 1.3012 · 1.3012
form: Liquid
EPA Substance Registry System: 3 H,3H-Perfluoropropyl · 3H,3H-Perfluoropropyl triflate (6401-00-9)
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301+H311+H331-H314
Precautionary statements: 280 · P280-P309+P311
Hazard Codes: C,T
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
RIDADR: 3265 · UN3265
Hazard Note: Corrosive/Toxic
HazardClass: TOXIC, CORROSIVE
HS Code: 2905190098 · 2905190098

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]；H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (50%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.