2,2-Difluoroethenyl 4-methylbenzene-1-sulfonate

HCID 10977366

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Basic information

CAS: 185739-14-4
Standard SMILES: Cc1ccc(S(=O)(=O)OC=C(F)F)cc1
InChIKey: ZQLLPWMNXQYESO-UHFFFAOYSA-N
Molecular formula: C9H8F2O3S
Average molar mass: 234.22 g/mol
Monoisotopic mass: 234.01622156

Names & identifiers

Preferred name: 2,2-Difluoroethenyl 4-methylbenzene-1-sulfonate
IUPAC: 2,2-difluoroethenyl 4-methylbenzenesulfonate
English name: 2,2-DIFLUOROETHENYL 4-METHYLBENZENE-1-SULFONATE
Molecular formula: C9H8F2O3S
Molecular weight: 234.22

Names & synonyms

185739-14-42,2-difluoroethenyl 4-methylbenzene-1-sulfonateRefChem:441156851-979-32,2-Difluorovinyl 4-methylbenzenesulfonate2,2-difluoroethenyl 4-methylbenzenesulfonateMFCD279465672,2-difluorovinyl tosylateC9H8F2O3S2,2-Difluoroethenyl-4-methylbenzenesulfonate2,2-di-fluorovinyltosylateToluene-4-sulfonic acid 2,2-difluoro-vinyl ester

Show more names

Ethenol, 2,2-difluoro-, 1-(4-methylbenzenesulfonate)

2,2-difluoroethenyl tosylate2,2-Difluoro-vinyl TosylateSCHEMBL343964DTXSID601382570KHA73914AKOS040768317AT27893BS-52555

Database identifiers

CAS: 185739-14-4
PubChem CID: 10977366
DTXSID: DTXSID601382570
EC Number: 851-979-3
Nikkaji: J973.667K

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 320

Physicochemical properties

Boiling point: 267.2 · 267.2±40.0 °C(Predicted)
Density: 1.34 · 1.340±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H315-H318-H332-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS05,GHS07
Hazard statements: H302-H315-H318-H332-H335
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501