Ethanol, 2,2,2-trifluoro-, 4-methylbenzenesulfonate


Chemical Name: Ethanol, 2,2,2-trifluoro-, 4-methylbenzenesulfonate
CAS Number: 433-06-7
Product Number: AG003B2V(AGN-PC-0OAEJZ)
Synonyms:
MDL No:
Molecular Formula: C9H9F3O3S
Molecular Weight: 254.2262

Identification/Properties


Properties
MP:
36-38 °C(lit.)
BP:
87-92 °C0.1 mm Hg(lit.)
Storage:
Inert atmosphere;Room Temperature;Light sensitive;
Form:
Solid
Stability:
Moisture Sensitive
Computed Properties
Molecular Weight:
254.223g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
254.022g/mol
Monoisotopic Mass:
254.022g/mol
Topological Polar Surface Area:
51.8A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
310
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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