Home Other Building Blocks 1-(Trifluoroacetyl)imidazole

1-(Trifluoroacetyl)imidazole

CAS No.:
1546-79-8
Catalog Number:
AG0032JB
Molecular Formula:
C5H3F3N2O
Molecular Weight:
164.0853
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(HPLC)
In Stock USA
United States
$41
- +
5g
98%(HPLC)
In Stock USA
United States
$57
- +
25g
98%(HPLC)
In Stock USA
United States
$155
- +
100g
98%(HPLC)
In Stock USA
United States
$501
- +
Product Description
Catalog Number:
AG0032JB
Chemical Name:
1-(Trifluoroacetyl)imidazole
CAS Number:
1546-79-8
Molecular Formula:
C5H3F3N2O
Molecular Weight:
164.0853
MDL Number:
MFCD00014501
IUPAC Name:
2,2,2-trifluoro-1-imidazol-1-ylethanone
InChI:
InChI=1S/C5H3F3N2O/c6-5(7,8)4(11)10-2-1-9-3-10/h1-3H
InChI Key:
SINBGNJPYWNUQI-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)n1cncc1
EC Number:
216-282-5
UNII:
8C6041OW3I
NSC Number:
151965
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.02g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.087g/mol
Monoisotopic Mass:
164.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Gas chromatography-mass spectrometry analysis of trifluoroacetyl derivatives of precursors of nitrogen and sulfur mustards for verification of chemical weapons convention. Journal of chromatography. A 20041203
Properties