Basic information
- CAS
426-58-4- Standard SMILES
O=S(=O)(c1ccccc1)C(F)(F)F- InChIKey
UPGBQYFXKAKWQC-UHFFFAOYSA-N- Molecular formula
- C7H5F3O2S
- Average molar mass
- 210.18 g/mol
- Monoisotopic mass
- 209.99623506
Names & identifiers
- Preferred name
- Phenyl Trifluoromethyl Sulfone
- IUPAC
- trifluoromethylsulfonylbenzene
- English name
- Phenyl (trifluoromethyl) sulfone
- Molecular formula
- C7H5F3O2S
- Molecular weight
- 210.17
Names & synonyms
426-58-4Phenyl trifluoromethyl sulfoneRefChem:861639811-109-5Phenyl (trifluoromethyl) sulfonetrifluoromethylsulfonylbenzene(Trifluoromethane)sulfonylbenzeneMFCD00159083((trifluoromethyl)sulfonyl)benzenephenyltrifluoromethyl sulfonetrifluoromethylphenyl sulfoneDTXSID90879040
Show more names
Phenyl trifluoromethyl sulphone1-(trifluoromethylsulfonyl)benzene[(Trifluoromethyl)sulphonyl]benzenePhenyl trifluoromethyl sulfone, 98+%
CS-0114496Phenyl trifluoromethylsulfone(Trifluoromethyl) phenyl sulfonephenyltrifluoromethylsulfonetrifluoromethyl phenyl sulfoneSULFONE,PHENYL-TRIFLUOROMETHYLBenzene, [(trifluoromethyl)sulfonyl]-SCHEMBL385126
Database identifiers
- CAS
426-58-4- PubChem CID
- 555605
- DTXSID
DTXSID90879040- EC Number
- 811-109-5
- Nikkaji
- J357.231E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 256
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
Physicochemical properties
- Boiling point
- 203 °C · 203°C(lit.)
- Density
- 1.423 · 1.423±0.06 g/cm3(Predicted)
- refractive index
- 1.462 to · 1.4620 to 1.4660
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- clear liquid
- color
- Colorless to Almost colorless
- InChI
- InChI=1S/C7H5F3O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5H
- InChIKey
- UPGBQYFXKAKWQC-UHFFFAOYSA-N
- SMILES
- C1(S(C(F)(F)F)(=O)=O)=CC=CC=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
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
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Safety data
- hs_code
- 2930909899
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers76 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]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
常州新氟化学有限公司13275212658 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
湖南嘉航医药科技有限公司85521272 15200744171 · [email protected]
Related reactions
4 records
Compound notes
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