Basic information
- CAS
161337-67-3- Standard SMILES
O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Hf+4]- InChIKey
BQYMOILRPDTPPJ-UHFFFAOYSA-J- Molecular formula
- C4F12HfO12S4
- Average molar mass
- 774.8 g/mol
- Monoisotopic mass
- 775.75464808
Names & identifiers
- Preferred name
- Hafnium(IV) Trifluoromethanesulfonate
- IUPAC
- hafnium(4+);tetrakis(trifluoromethanesulfonate)
- English name
- HAFNIUM TRIFLUOROMETHANESULFONATE
- Molecular formula
- CHF3HfO3S
- Molecular weight
- 328.56
Names & synonyms
Hafnium(IV) TrifluoromethanesulfonateRefChem:783348624-948-5161337-67-3HAFNIUM TRIFLUOROMETHANESULFONATEHafnium(IV) triflateMFCD01321255Trifluoromethanesulfonic Acid Hafnium(IV) Salthafnium(4+);trifluoromethanesulfonateHafnium (IV) trifluoromethanesulfonateHafnium triflateHAFNIUM (IV) TRIFLUOROMETHANESULPHONATE
Show more names
Hf(OTf)4Hafnium trifHafnium trifluoromethanesulphonateHAFNIUM TRIFLUOROMETHANESULFONATE HYDRAT EHafnium(IV) trifluoromethanesulphonate 98%
C4F12HfO12S4SCHEMBL473262DTXSID201336882AKOS015853193FH60989SY073356F009255
Database identifiers
- CAS
161337-67-3- PubChem CID
- 9853707
- DTXSID
DTXSID201336882
Properties
Computed structural properties
- Topological polar surface area
- 262 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 24
- Rotatable bonds
- 0
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Melting point
- 350 °C · >350 °C(lit.)
- Flash point
- None
- storage temp.
- 2 · 2-8°C, protect from light, stored under nitrogen
- solubility
- Soluble in methyl cyanide, dicholomethane, dichloroethane, nitromethane, dioxane, terahydrofuran and toluene.
- form
- powder to crystal
- color
- White to Light yellow
- Sensitive
- Hygroscopic
- Exposure limits
- 0.5 mg/m3NIOSH: · ACGIH: TWA 0.5 mg/m3NIOSH: IDLH 50 mg/m3; TWA 0.5 mg/m3
- InChI
- 1S/4CHF3O3S.Hf/c4*2-1(3,4)8(5,6)7;/h4*(H,5,6,7);/q;;;;+4/p-4
- InChIKey
- BQYMOILRPDTPPJ-UHFFFAOYSA-J
- SMILES
- FC(F)(F)S(=O)(=O)O[Hf](OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
- CAS DataBase Reference
- 161337 · 161337-67-3(CAS DataBase Reference)
- UNSPSC Code
- 12161600 · 12161600
- NACRES
- 22 · NA.22
- Symbol(GHS)
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (97.8%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.8%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- UN 1759 8/PG III
- hs_code
- 29049090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- hazard_class
- 8
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
Chemistry & industry
Applications
UsesHafnium trifluoromethanesulfonate is a recyclable catalyst for the mononitration of o-nitrotoluene. It serves as a catalyst for homogeneous methoxycarbonylation and hydrocarboxylation reactions of phenylacetylene. It is also used as a reactant for direct Friedel-Crafts reactions of chromene hemiacetals, aminomethylation reactions under Lewis acidic conditions and prins-type cyclization reactions. It is also involved in the direct polycondensation of lactic acid. Further, it is used in cationic benzylation reactions, chemoselective thioacetalization and transthioacetalization of carbonyl compounds.
UsesCatalyst for:Homogeneous methoxycarbonylation and hydrocarboxylation reactions of phenylacetyleneDirect Friedel-Crafts reactions of chromene hemiacetalsAminomethylation reactions under Lewis acidic conditionsPrins-type cyclization reactionsDirect polycondensation of lactic acidCationic benzylation reactionsChemoselective thioacetalization and transthioacetalization of carbonyl compounds
Suppliers52 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
1 records
Compound notes
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