AG0032JB

1546-79-8 | 1-(Trifluoroacetyl)imidazole

AG0032JB

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CAS Number	1546-79-8
Catalog Number	AG0032JB(AGN-PC-0JLB6F)
Chemical Name	1-(Trifluoroacetyl)imidazole
EC Number	216-282-5
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
MDL Number	MFCD00014501
Molecular Formula	C5H3F3N2O
Molecular Weight	164.0853
NSC Number	151965
SMILES	FC(C(=O)N1C=NC=C1)(F)F
UNII	8C6041OW3I
Synonyms	TFA-Lys-Ala-TFMPA, TFAI, trifluoroacetyl-lysyl-alanyl-trifluoromethylphenylanilide, trifluoroacetyllysylalanine-trifluoromethylphenylanilide, 1-(Trifluoroacetyl)imidazole, 1546-79-8, N-Trifluoroacetylimidazole, 1-(Trifluoroacetyl)-1H-imidazole, 2,2,2-Trifluoro-1-(1H-imidazol-1-yl)ethanone, 1H-Imidazole, 1-(trifluoroacetyl)-, UNII-8C6041OW3I, TFAI, N-TRIFLUOROACETYL IMIDAZOLE, SINBGNJPYWNUQI-UHFFFAOYSA-N, 8C6041OW3I, MFCD00014501, 2,2,2-trifluoro-1-(1H-imidazol-1-yl)ethan-1-one, 2,2,2-TRIFLUORO-1-(1H-IMIDAZOL-1-YL)-ETHANONE, 2,2,2-trifluoro-1-imidazolylethan-1-one, EINECS 216-282-5, NSC151965, NSC 151965, PubChem6501, AC1L2KGY, 1-trifluoroacetylimidazole, ACMC-209db9, 1-(trifloroacetyl)imidazole, AC1Q4I5Q, n-(trifluoroacetyl)imidazole, KSC493A2N, 1-(trifluoroacetyl) imidazole, 1-(Trifluoroacetyl)-imidazole, SCHEMBL156615, CTK3J3026, KS-00000ZEI, DTXSID60165669, ZINC1081150, ZX-AP002093, 1-(Trifluoroacetyl)imidazole, 98%, 1-(Trifluoroacetyl)-1H-imidazole #, 4842AD, ANW-21523, FCH932075, PC7240, SBB087756, AKOS006223451, AM84504, MCULE-4091149652, NSC-151965, PS-6800, RTR-032223, TRA0002246, AC-22741, AJ-24901, AK142936, AN-49419, BP-12200, CJ-04725, ZB015876, 2,2,2-trifluoro-1-imidazol-1-ylethanone, 2,2,2-trifluoro-1-imidazol-1-yl-ethanone, AB0063113, AX8145802, TR-032223, 2,2,2-trifluoro-1-(imidazol-1-yl)ethanone, FT-0633652, ST50307013, 546T798, C-36820, 1-(trifluoroacetyl)imidazole, derivatiza tion grade, 1-(Trifluoroacetyl)imidazole, for GC derivatization, J-009132, 1-(trifluoroacetyl)imidazole, derivati-z ation reagent, 1- imidazole, trifluoroacetylimidazole, C5H3F3N2O, C5-H3-F3-N2-O, N-(Trifluoroacetyl)imidazole 250g, CID73767, AR-1K8221, 1H-Imidazole, 1-(trifluoroacetyl)- (9CI), T0670, 1-(Trifluoroacetyl)imidazole, 97.5%, derivatization grade - 25G 25g, 6280-16-6,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

Lot Number