2-Propanol, 1,1,1,3,3,3-hexafluoro-, 2-(4-methylbenzenesulfonate)
Basic information
- CAS
67674-48-0- Standard SMILES
Cc1ccc(S(=O)(=O)OC(C(F)(F)F)C(F)(F)F)cc1- InChIKey
QGSVBFAODCJVIZ-UHFFFAOYSA-N- Molecular formula
- C10H8F6O3S
- Average molar mass
- 322.23 g/mol
- Monoisotopic mass
- 322.00983426
Names & identifiers
- Preferred name
- 2-Propanol, 1,1,1,3,3,3-hexafluoro-, 2-(4-methylbenzenesulfonate)
- IUPAC
- 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methylbenzenesulfonate
- English name
- HEXAFLUOROISOPROPYL TOSYLATE
- Molecular formula
- C10H8F6O3S
- Molecular weight
- 322.22
Names & synonyms
67674-48-02-Propanol, 1,1,1,3,3,3-hexafluoro-, 4-methylbenzenesulfonateEINECS 266-887-3DTXSID708868582-Propanol, 1,1,1,3,3,3-hexafluoro-, 2-(4-methylbenzenesulfonate)NSC 1794242,2,2-Trifluoro-1-(trifluoromethyl)ethyl toluene-p-sulphonateRefChem:478402DTXCID001026176266-887-3Hexafluoroisopropyl tosylate1,1,1,3,3,3-hexafluoropropan-2-yl 4-methylbenzenesulfonate
Show more names
HEXAFLUOROISOPROPYL TOSYL1,1,1,3,3,3-Hexafluoroisopropyl TosylateHEXAFLUOROISOPROPYL TOSYLATE ISO 9001：2015 REACH2,2,2-Trifluoro-1-(trifluoromethyl)ethyl tosylate1,1,1,3,3,3-HEXAFLUOROISOPROPYL P-TOLUENESULPHONATE
1,1,1,3,3,3-Hexafluoroisopropyl p-ToluenesulfonateMFCD000392621,1,1,3,3,3-hexafluoropropan-2-yl 4-methylbenzene-1-sulfonateNSC1794241,1,1,3,3,3-hexafluoroisopropyl 4-toluenesulphonateSCHEMBL4125553hexafluoroisopropyl 4-toluenesulfonateAKOS003788890
Database identifiers
- CAS
67674-48-0- PubChem CID
- 98916
- DTXSID
DTXSID70886858- EC Number
- 266-887-3
- Nikkaji
- J333.300K
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 400
Experimental & physicochemical properties
SpringerMaterials Properties19F nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 39 °C · 39 °C
- Boiling point
- 134 °C/22.5mmHg · 134°C/22.5mmHg(lit.)
- Density
- 1.464 · 1.464±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- powder to crystal
- color
- White to Almost white
- BRN
- 4530866 · 4530866
- InChI
- InChI=1S/C10H8F6O3S/c1-6-2-4-7(5-3-6)20(17,18)19-8(9(11,12)13)10(14,15)16/h2-5,8H,1H3
- InChIKey
- QGSVBFAODCJVIZ-UHFFFAOYSA-N
- SMILES
- C(F)(F)(F)C(OS(C1=CC=C(C)C=C1)(=O)=O)C(F)(F)F
- CAS DataBase Reference
- 67674 · 67674-48-0(CAS DataBase Reference)
- EPA Substance Registry System
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
H315 (100%): 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 6 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 29049090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37
- hazard_class
- IRRITANT
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propanol, 1,1,1,3,3,3-hexafluoro-, 2-(4-methylbenzenesulfonate): INACTIVE
Applications
UsesHexafluoroisopropyl Tosylate (CAS# 67674-48-0) can be used to manufacture composite reverse osmosis membrane for water treatment.
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
1 records
Compound notes
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