2,2,2-Trifluoroethyl benzenesulfonate

HCID 296341CAS 339-48-0
Substructure searchFind similar structures

Basic information

Standard SMILES
O=S(=O)(OCC(F)(F)F)c1ccccc1
InChIKey
ABRHGSTXPVUNBK-UHFFFAOYSA-N
Molecular formula
C8H7F3O3S
Average molar mass
240.2 g/mol
Monoisotopic mass
240.00679974

Names & identifiers

Preferred name
2,2,2-Trifluoroethyl benzenesulfonate
IUPAC
2,2,2-trifluoroethyl benzenesulfonate
English name
2,2,2-trifluoroethoxysulfonylbenzene
Molecular formula
C8H7F3O3S
Molecular weight
240.2

Names & synonyms

2,2,2-trifluoroethyl benzenesulfonate339-48-0DTXSID80304593RefChem:242553DTXCID502557252,2,2-TrifluoroethylbenzenesulfonateMFCD00451878NSC166422SCHEMBL22702342,2,2-trifluoroethyl-benzenesulfonateAKOS0036308042,2,2-trifluoroethylbenzene sulphonate
Show more names
2,2-difluorovinyl benzenesulfonate2,2,2-trifluoroethoxysulfonylbenzeneEthanol, 2,2,2-trifluoro-, 1-benzenesulfonate
NSC-1664222,2,2-Trifluoroethylbenzenesulfonate, 99%EN300-128787

Database identifiers

CAS
339-48-0
PubChem CID
296341
DTXSID
DTXSID80304593

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
51.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
15

Physicochemical properties

Boiling point
292.3 · 292.3±35.0 °C(Predicted)
Density
1.409 · 1.409±0.06 g/cm3(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers5 total

上海硅兰医药科技有限公司17301772648; 17301772648 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]

Related reactions

4 records
New reaction record

Linked notes

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