2,2,2-Trifluoroethyl trichloromethanesulphonate

HCID 90027CAS 23199-56-6

Substructure search Find similar structures

Basic information

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 properties

XLogP: 2.7
Topological polar surface area: 51.8 Å²
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)
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 Statements: 26 · 26-36/37/39-45
RIDADR: 3265 · 3265
Hazard Note: Toxic
HazardClass: 8 · 8
PackingGroup: II
HS Code: 2905599890 · 2905599890

Safety & regulation

GHS classification

GHS Classification · 4 items

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.