Tin(II) trifluoromethanesulfonate

HCID 2776843

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 62086-04-8
Standard SMILES: O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Sn+2]
InChIKey: RBGLVWCAGPITBS-UHFFFAOYSA-L
Molecular formula: C2F6O6S2Sn
Average molar mass: 416.9 g/mol
Monoisotopic mass: 417.80624374

Names & identifiers

Preferred name: Tin(II) trifluoromethanesulfonate
IUPAC: tin(2+);bis(trifluoromethanesulfonate)
English name: Tin(II) trifluoromethanesulfonate
Molecular formula: C2F6O6S2Sn
Molecular weight: 416.85

Names & synonyms

Tin(II) trifluoromethanesulfonate62086-04-8DTXSID30380266RefChem:385626DTXCID70331292629-277-1Stannous trifluoromethanesulfonateTin(II) triflateStannous triflatetin(2+);trifluoromethanesulfonateSn(OTf)2MFCD00191251

Show more names

TIN TRIFLUOROMETHANESULFONATETIN TRIFLATETin(II) trifLThreetrifluoroacetic acidtinZinc(II)trifluoromethanesulfonateTin(Ⅱ) Trifluoromethanesulfonate

Tin Ditriflatetin(ii)trifluoromethanesulfonateTin (II) triflateC2F6O6S2SnSCHEMBL524994stannous;trifluoromethanesulfonateAKOS005762896AKOS025243441

Database identifiers

CAS: 62086-04-8
PubChem CID: 2776843
DTXSID: DTXSID30380266
EC Number: 629-277-1
Nikkaji: J209.039B

Properties

Computed structural properties

Topological polar surface area: 131 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 12
Rotatable bonds: 0
Heavy atoms: 17
Formal charge: 0
Complexity: 145

Physicochemical properties

Melting point: 300 °C · ≥300 °C (lit.)
storage temp.: 2 · Inert atmosphere,2-8°C
form: Powder
color: White to yellow
Water Solubility: Insoluble in water.
Sensitive: Moisture Sensitive
Stability: hygroscopic
InChI: 1S/2CHF3O3S.Sn/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2
InChIKey: RBGLVWCAGPITBS-UHFFFAOYSA-L
SMILES: FC(F)(F)S(=O)(=O)O[SnH2]OS(=O)(=O)C(F)(F)F
CAS DataBase Reference: 62086 · 62086-04-8(CAS DataBase Reference)
UNSPSC Code: 12161600 · 12161600
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06,GHS07,GHS05
Signal word: Danger
Hazard statements: 301 · H301+H311+H331-H315-H319-H314-H302-H312-H331
Precautionary statements: 280 h-P304+P340-P311a-P501a-P280-P305+P351+P338-P310-P261-P264-P270-P271-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501 · P280h-P304+P340-P311a-P501a-P280-P305+P351+P338-P310-P261-P264-P270-P271-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C,Xi
Risk Statements: 34 · 34-36/37/38
Safety Statements: 26 · 26-36/37/39-45-37/39
RIDADR: 3146 · UN 3146 6.1/PG 3
WGK Germany: 3 · 3
F: 1 · 1-10
Hazard Note: Corrosive
TSCA: No
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29049090 · 29049090
Storage Class: 11 · 11 - Combustible Solids
Limited Quantities: 1 Kg · 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (88.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1A (88.9%)

Safety data

F: 1-10
PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
tsca: No
ridadr: UN 3146 6.1/PG 3
hs_code: 29049090
risk_code: 34-36/37/38
Signal word: Danger
Symbol(GHS): GHS06,GHS07,GHS05
hazard_code: C,Xi
hazard_note: Corrosive
safety_code: 26-36/37/39-45-37/39
hazard_class: 6.1
Storage Class: 11 - Combustible Solids
packing_group: III
Hazard statements: H301+H311+H331-H315-H319-H314-H302-H312-H331
Limited Quantities: 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Precautionary statements: P280h-P304+P340-P311a-P501a-P280-P305+P351+P338-P310-P261-P264-P270-P271-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501

Chemistry & industry

Applications · 2 items

DescriptionMild Lewis acid, primarily used to generate tin(II) enolates for stereoselective aldol and Michael reactions; [2,3]-Wittig and Ireland-Claisen rearrangements; addition of tin(II) acetylides to aldehydes; asymmetric allylation of aldehydes.

UsesTin(II) trifluoromethanesulfonate is a mild Lewis acid used for stereoselective aldol and Michael reactions; [2,3]-Wittig and Ireland-Claisen rearrangements, Horner-Wadsworth-Emmons reactions, asymmetric [3 + 2] cycloaddition, ring opening reactions and Friedel-Crafts reactions.