2,2,2-Trifluoroethyl trichloromethanesulphonate
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Basic information
- CAS
23199-56-6- Standard SMILES
O=S(=O)(OCC(F)(F)F)C(Cl)(Cl)Cl- InChIKey
GOIWZZQXWJVDOG-UHFFFAOYSA-N- Molecular formula
- C3H2Cl3F3O3S
- Average molar mass
- 281.5 g/mol
- Monoisotopic mass
- 279.87423262
Names & identifiers
- Preferred name
- 2,2,2-Trifluoroethyl trichloromethanesulphonate
- IUPAC
- 2,2,2-trifluoroethyl trichloromethanesulfonate
- English name
- 2,2,2-Trifluoroethyl trichloromethanesulfonate
- Molecular formula
- C3H2Cl3F3O3S
- Molecular weight
- 281.47
Names & synonyms
23199-56-62,2,2-Trifluoroethyl trichloromethanesulphonateEINECS 245-484-6Methanesulfonic acid, 1,1,1-trichloro-, 2,2,2-trifluoroethyl esterDTXSID70177778Methanesulfonic acid, trichloro-, 2,2,2-trifluoroethyl esterRefChem:440555DTXCID30100269245-484-62,2,2-trifluoroethyl trichloromethanesulfonateMFCD000424002,2,2-trifluoroethyltrichloromethanesulfonate
Show more names
LABOTEST-BB LT004556562,2,2-trifluoroethyl trichloromethylsulfonate2,2,2-Trifluoroethyl trichlorometanesulphonate2,2,2-Trifluoroethyltrichloromethanesulphonate97%2,2,2-Trifluoroethyl trichloromethanesulphonate 97%trichloromethanesulfonic acid 2,2,2-trifluoroethyl esterTrichloromethanesulphonic acid 2,2,2-trifluoroethyl ester
C3H2Cl3F3O3S2,2,2-trifluoroethyl (trichloromethyl)sulfonateSCHEMBL55106SBB058039trifluoroethyl trichloromethylsulfonateAKOS015848706trifluoroethyl trichloromethanesulphonateAS-10559
Database identifiers
- CAS
23199-56-6- PubChem CID
- 90027
- DTXSID
DTXSID70177778- EC Number
- 245-484-6
- Nikkaji
- J318.423D
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Melting point
- -70 °C · -70°C
- Boiling point
- 84 · 84-86°C 20mm
- Density
- 1 · 1,714 g/cm3
- refractive index
- 1.4238 · 1.4238
- Flash point
- 84 · 84-86°C/20mm
- form
- Liquid
- Sensitive
- Moisture Sensitive
- BRN
- 1108366 · 1108366
- CAS DataBase Reference
- 23199 · 23199-56-6(CAS DataBase Reference)
- Comptox DTXSID
- 70177778 · DTXSID70177778
- Symbol(GHS)
- 5 · GHS05,GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311-H331-H314-H351
- Precautionary statements
- 280 · P280-P309+P311
- Hazard Codes
- T
- Risk Statements
- 34 · 34
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
H301+H311+H331 (20%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P203, P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 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 CategoriesAcute Tox. 3 (20%)
Safety data
- ridadr
- 3265
- hs_code
- 2905599890
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06,GHS08
- hazard_code
- T
- hazard_note
- Toxic
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- II
- Hazard statements
- H301+H311-H331-H314-H351
- Precautionary statements
- P280-P309+P311
Related reactions
67 records
Compound notes
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