AG001FFT

1481-02-3 | 1-Methyl-3-Trifluoromethyl-2-Pyrazolin-5-One

AG001FFT

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CAS Number	1481-02-3
Catalog Number	AG001FFT(AGN-PC-0JS8GZ)
Chemical Name	1-Methyl-3-Trifluoromethyl-2-Pyrazolin-5-One
IUPAC Name	2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one
InChI	InChI=1S/C5H5F3N2O/c1-10-4(11)2-3(9-10)5(6,7)8/h2H2,1H3
InChI Key	SYHYFYSGUQRNRS-UHFFFAOYSA-N
MDL Number	MFCD00051654
Molecular Formula	C5H5F3N2O
Molecular Weight	166.1012
SMILES	O=C1N(C)N=C(C(F)(F)F)C1
Synonyms	1481-02-3, 1-Methyl-3-trifluoromethyl-2-pyrazolin-5-one, 1-Methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one, 1-Methyl-3-(trifluoromethyl)-2-pyrazolin-5-one, 2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one, 2-Methyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, SYHYFYSGUQRNRS-UHFFFAOYSA-N, MFCD00051654, 3H-Pyrazol-3-one,2,4-dihydro-2-methyl-5-(trifluoromethyl)-, ACMC-20aoth, AC1LAQUE, MLS000696220, SCHEMBL1009003, CHEMBL1429911, CTK4C5702, KS-00001KDQ, DTXSID70333791, HMS1661E14, HMS2628P23, PC3274, SBB025955, STK352883, AKOS005168459, ZINC100017545, MCULE-1735727801, RP02451, SMR000333343, DB-015718, TC-171836, CS-0063181, FT-0608064, ST45134668, Y7579, 1C-052, K-4712, A808736, I11-0125, W-205675, 2-methyl-5-trifluoromethyl-2,4-dihydro-pyrazol-3-one, 3-(Trifluoromethyl)-1-methyl-1H-pyrazole-5(4H)-one, 1-Methyl-3-trifluoromethyl-2-pyrazolin-5-one, AldrichCPR, 2,4-Dihydro-2-methyl-5-trifluoromethyl-3H-pyrazol-3-one, 2-Methyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one #, 3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-(trifluoromethyl)-, 4,5-Dihydro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one, C5H5F3N2O, CID518566, ZINC01044565, 1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.035g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	166.103g/mol
Monoisotopic Mass	166.035g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	32.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 2811

Certificate of Analysis

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