Basic information
- CAS
676-88-0- Standard SMILES
C[S+](C)C.F[B-](F)(F)F- InChIKey
RNBNWTAKWJKQNN-UHFFFAOYSA-N- Molecular formula
- C3H9BF4S
- Average molar mass
- 163.98 g/mol
- Monoisotopic mass
- 164.0454143
Names & identifiers
- Preferred name
- Trimethylsulphonium tetrafluoroborate(1-)
- IUPAC
- trimethylsulfanium tetrafluoroborate
- English name
- Trimethylsulfonium tetrafluoroborate
- Molecular formula
- C3H9BF4S
- Molecular weight
- 163.97
Names & synonyms
Trimethylsulphonium tetrafluoroborate(1-)EINECS 211-632-3DTXSID30217922NSC 98242RefChem:899925DTXCID80140413211-632-3Trimethylsulfonium tetrafluoroborate676-88-0trimethylsulfanium;tetrafluoroborateNCIOpen2_001734tetrafluoroboranuide; trimethylsulfanium
Show more names
trimethylsulfanium:tetrafluoroborateTRIMETHYLSULPHONIUM TETRAFLUOROBORATETrimethylsulfoniumtetrafluoroborate,98+%
trimethyl sulfonium fluoroborateMFCD00031582Trimethylsulfanium tetrafluoridoborate(1-)C3H9BF4SSCHEMBL334765trimethylsulfonium;tetrafluoroborateNSC98242NSC-98242
Database identifiers
- CAS
676-88-0- PubChem CID
- 3083643
- DTXSID
DTXSID30217922- EC Number
- 211-632-3
Properties
Computed structural properties
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 27.1
Physicochemical properties
- Melting point
- 205 · 205-210 °C
- storage temp.
- 2 · 2-8°C
- form
- solid
- Water Solubility
- It is soluble in water.
- BRN
- 3708437 · 3708437
- InChI
- 1S/C3H9S.BF4/c1-4(2)3;2-1(3,4)5/h1-3H3;/q+1;-1
- InChIKey
- RNBNWTAKWJKQNN-UHFFFAOYSA-N
- SMILES
- C[S+](C)C.F[B-](F)(F)F
- UNSPSC Code
- 12352101 · 12352101
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
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
Danger
H314 (100%): 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 43 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- wgk
- 3
- ridadr
- 3261
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 6.1
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Applications
UsesTrimethylsulfonium Tetrafluoroborate is used in mass connectivity index, a new molecular parameter for estimation of ionic liquid properties, and a much more easier concept for the calculation of connectivity indexes. Trimethylsulfonium Tetrafluoroborate also functions as a catalyst for oxidation reactions of hydrocarbons.
Suppliers12 total
合肥曼奇诺生物医药技术有限公司19719236623 · [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]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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