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Home Other Building Blocks 2,2,2-Trifluoroethyl tosylate

2,2,2-Trifluoroethyl tosylate

CAS No.:
433-06-7
Catalog Number:
AG003B2V
Molecular Formula:
C9H9F3O3S
Molecular Weight:
254.2262
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$75
- +
500g
95%
In Stock USA
United States
$297
- +
Product Description
Catalog Number:
AG003B2V
Chemical Name:
2,2,2-Trifluoroethyl tosylate
CAS Number:
433-06-7
Molecular Formula:
C9H9F3O3S
Molecular Weight:
254.2262
MDL Number:
MFCD00000443
IUPAC Name:
2,2,2-trifluoroethyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C9H9F3O3S/c1-7-2-4-8(5-3-7)16(13,14)15-6-9(10,11)12/h2-5H,6H2,1H3
InChI Key:
IGKCQDUYZULGBM-UHFFFAOYSA-N
SMILES:
FC(COS(=O)(=O)c1ccc(cc1)C)(F)F
EC Number:
207-085-5
NSC Number:
77401
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.022g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.223g/mol
Monoisotopic Mass:
254.022g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
8-(2,2,2-Trifluoro-ethoxy)quinolinium perchlorate-8-(2,2,2-trifluoro-ethoxy)quinoline (1/1). Acta crystallographica. Section E, Structure reports online 20110501
Radiosynthesis of the tumor hypoxia marker [18F]TFMISO via O-[18F]trifluoroethylation reveals a striking difference between trifluoroethyl tosylate and iodide in regiochemical reactivity toward oxygen nucleophiles. Bioorganic & medicinal chemistry 20110401
2,2,2-Trifluoro-ethyl 4-methyl-benzene-sulfonate. Acta crystallographica. Section E, Structure reports online 20101101
Concise synthesis of halogenated chrysenes ([4]phenacenes) that favor pi-stack packing in single crystals. Organic letters 20090903
Properties