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23418-85-1,MFCD00041687
Catalog No.:AA003J2Z
23418-85-1 | 3-Butynyl p-toluenesulfonate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$26.00   $18.00
- +
5g
96%
in stock  
$79.00   $55.00
- +
10g
96%
in stock  
$136.00   $95.00
- +
25g
96%
in stock  
$236.00   $165.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003J2Z
Chemical Name:
3-Butynyl p-toluenesulfonate
CAS Number:
23418-85-1
Molecular Formula:
C11H12O3S
Molecular Weight:
224.2762
MDL Number:
MFCD00041687
IUPAC Name:
but-3-ynyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C11H12O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h1,5-8H,4,9H2,2H3
InChI Key:
STOASOOVVADOKH-UHFFFAOYSA-N
SMILES:
C#CCCOS(=O)(=O)c1ccc(cc1)C
NSC Number:
116062
Properties
Computed Properties
 
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.051g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.274g/mol
Monoisotopic Mass:
224.051g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Synonyms
 
23418-85-1 
3-Butynyl p-toluenesulfonate 
3-Butynyl p-toluenesulfonate, 96% 
MFCD00041687 
NSC116062 
but-3-ynyl tosylate 
4-tosyloxy-1-butyne 
ACMC-1CGFQ 
AC1Q2LQX 
AC1Q6Y8B 
3-butynyl-p-toluenesulfonate 
but-3-ynyl-p-toluenesulfonate 
but-3-yn-1-yl 4-methylbenzenesulfonate 
SCHEMBL312901 
AC1L6R73 
CTK8B1263 
DTXSID30297461 
STOASOOVVADOKH-UHFFFAOYSA-N 
4(4-Toluenesulfonyloxy)-1-butyne 
ZINC1705574 
ZX-AT011526 
4-(4-Toluenesulfonyloxy)-1-butyne 
1558AB 
3-butynyl tosylate 
AB2758 
ANW-25119 
BBL101862 
SBB008912 
STL555659 
AKOS005067827 
CB-3188 
FCH1680005 
FS-3991 
MCULE-8262453920 
but-3-ynyl 4-methylbenzenesulfonate 
NSC-116062 
VF10281 
ACM23418851 
AJ-30607 
AK116231 
BBV-45064923 
BC685831 
CJ-28827 
SC-45994 
ST097014 
3-butynyl 4-toluenesulfonate 
toluene-4-sulfonic acid but-3-ynyl ester 
TZ001024 
AB0085760 
AB1005602 
AX8013139 
TR-010882 
but-3-yn-1-yl 4-methylbenzene-1-sulfonate 
FT-0615276 
ST24030218 
3-Butyn-1-ol, 1-(4-methylbenzenesulfonate) 
3-butynyl 4-methylbenzenesulfonate 
X-3990 
418B851 
I01-8434 
null 
C11H12O3S 
AR-1F2395 
CID272020 
T2046 
23513-08-8 
3-(1-butynyl)-4-toluenesulphonate 
p-Toluenesulfonic Acid 3-Butynyl Ester 
3-butynyl p-toluenesulphonate 
Literature

Title: Evaluation of 4-[(18)F]fluoro-1-butyne as a radiolabeled synthon for click chemistry with azido compounds.

Journal: Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine 20100201

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