Basic information
- CAS
88284-48-4- Standard SMILES
C[Si](C)(C)c1ccccc1OS(=O)(=O)C(F)(F)F- InChIKey
XBHPFCIWRHJDCP-UHFFFAOYSA-N- Molecular formula
- C10H13F3O3SSi
- Average molar mass
- 298.36 g/mol
- Monoisotopic mass
- 298.03067647
Names & identifiers
- Preferred name
- 2-(Trimethylsilyl)phenyl trifluoromethanesulfonate
- IUPAC
- (2-trimethylsilylphenyl) trifluoromethanesulfonate
- English name
- 2-(Trimethylsilyl)phenyl trifluoromethanesulfonate
- Molecular formula
- C10H13F3O3SSi
- Molecular weight
- 298.35
Names & synonyms
2-(Trimethylsilyl)phenyl trifluoromethanesulfonate88284-48-4DTXSID00391985RefChem:254971DTXCID50342846629-383-8(2-trimethylsilylphenyl) trifluoromethanesulfonate2-(Trimethylsilyl)phenyl TriflateMFCD00799598C10H13F3O3SSi2-(Trimethylsilyl)phenyltrifluoromethanesulfonateAKOS015856668
Show more names
DK943DKSI110DKFELEX0252TriMethylsilyl)phenyl trifluoroMethanesulfona2-(TRIMETHYLSILYL)PHENYL TRIFLUOROMETHANESULFOTE2-(trimethylsilyl)phenyl trifluoromethane-sulfona2-(TriMethylsilyl)phenyl trifluoroMethanesulfonate 97%
DS-16426SY057456Trifluoromethanesulfonic Acid 2-(Trimethylsilyl)phenyl Ester2-(Trimethylsilyl)phenyl trifluoromethanesulfonate, 97%(TRIMETHYLSILYL)PHENYL TRIFLATE2-(TrimMethanesulfonic acid, trifluoro-, 2-(trimethylsilyl)phenyl esterSCHEMBL1713611
Database identifiers
- CAS
88284-48-4- PubChem CID
- 3384007
- DTXSID
DTXSID00391985- EC Number
- 629-383-8
- Nikkaji
- J1.151.519C
Properties
Computed structural properties
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 381
Physicochemical properties
- Boiling point
- 70 °C/2 · 70 °C/2 mmHg (lit.)
- Density
- 1.229 g/mL · 1.229 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.456(lit.)
- Flash point
- 205 °F · 205 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- clear liquid
- color
- Colorless to Light yellow
- Specific Gravity
- 1.229 · 1.229
- Hydrolytic Sensitivity
- 7 · 7: reacts slowly with moisture/water
- InChI
- InChI=1S/C10H13F3O3SSi/c1-18(2,3)9-7-5-4-6-8(9)16-17(14,15)10(11,12)13/h4-7H,1-3H3
- InChIKey
- XBHPFCIWRHJDCP-UHFFFAOYSA-N
- SMILES
- C(F)(F)(F)S(OC1=CC=CC=C1[Si](C)(C)C)(=O)=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-27-36/37/39-45
- RIDADR
- 3265 · UN 3265 8/PG 2
- WGK Germany
- 3 · 3
- HazardClass
- 8 · 8
- PackingGroup
- Ⅱ
- HS Code
- 29319090 · 29319090
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, 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 Corr. 1B (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29319090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-27-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- Ⅱ
- Hazard statements
- H314
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Applications
Uses2-(Trimethylsilyl)phenyl trifluoromethanesulfonate may be used to generate benzyne under mild conditions of simple fluoride treatment at room temperature.
Uses2-(Trimethylsilyl)phenyl Triflate is a useful reagent applied in reactions of Polycyclic Arenes, Heteroatom Arylation,Heteroarenes and Benzannulated Heterocycles, Carbon Arylations, etc.
General Description2-(Trimethylsilyl)phenyl trifluoromethanesulfonate is an important ortho-benzyne precursor in aryne chemistry.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 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]
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Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Shanghai Enchem Industry Co., Ltd.15021317485
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Alfa Chemistry1-516-6625404 · [email protected]
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上海珈得尔化学技术有限公司021-4007787-550 400-7787-550 · [email protected]
Related reactions
30 records
Compound notes
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