AG003OED

7477-67-0 | 3,3'-Dimethyl-1,1'-diphenyl-1H,1'H-[4,4'-bipyrazole]-5,5'(4H,4'H)-dione

AG003OED

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CAS Number	7477-67-0
Catalog Number	AG003OED(AGN-PC-0U60SE)
Chemical Name	3,3'-Dimethyl-1,1'-diphenyl-1H,1'H-[4,4'-bipyrazole]-5,5'(4H,4'H)-dione
EC Number	231-282-5
IUPAC Name	5-methyl-4-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-phenyl-4H-pyrazol-3-one
InChI	InChI=1S/C20H18N4O2/c1-13-17(19(25)23(21-13)15-9-5-3-6-10-15)18-14(2)22-24(20(18)26)16-11-7-4-8-12-16/h3-12,17-18H,1-2H3
InChI Key	FORCWSNQDMPPOC-UHFFFAOYSA-N
MDL Number	MFCD00020765
Molecular Formula	C20H18N4O2
Molecular Weight	346.3825
SMILES	O=C1C(C(=NN1c1ccccc1)C)C1C(=O)N(N=C1C)c1ccccc1
Synonyms	Bispyrazolone, 7477-67-0, NSC 37393, 4,4'-Bis(1-phenyl-3-methyl-5-pyrazolone), 4,4'-bis(3-Methyl-1-phenyl-5-pyrazolone), NSC 401001, MFCD00020765, [4,4'-Bi-3H-pyrazole]-3,3'-dione, 2,2',4,4'-tetrahydro-5,5'-dimethyl-2,2'-diphenyl-, (4,4'-Bi-2-pyrazoline)-5,5'-dione, 3,3'-dimethyl-1,1'-diphenyl-, [4,4'-Bi-2-pyrazoline]-5,5'-dione, 3,3'-dimethyl-1,1'-diphenyl-, 3,3-Dimethyl-1,1-diphenyl-1H,1H-[4,4-bipyrazole]-5,5(4H,4H)-dione, 3,3'-Dimethyl-1,1'-diphenyl-1H,1'H-[4,4'-bipyrazole]-5,5'(4H,4'H)-dione, 3,3'-Dimethyl-1,1'-diphenyl-(4,4'-bi-2-pyrazoline)-5,5'-dione, (4,4'-Bi-3H-pyrazole)-3,3'-dione, 2,2',4,4'-tetrahydro-5,5'-dimethyl-2,2'-diphenyl-, [4,5'-dione, 3,3'-dimethyl-1,1'-diphenyl-, Bispyrazolon, 3,3'-Dimethyl-1,1'-diphenyl-[4,4'-bi-2-pyrazoline]-5,5'-dione, [4,3'-dione, 2,2',4,4'-tetrahydro-5,5'-dimethyl-2,2'-diphenyl-, EINECS 231-282-5, Edaravone Impurity IV, AC1L3V4T, AC1Q6EY8, SCHEMBL186331, FORCWSNQDMPPOC-UHFFFAOYSA-N, HMS1610K15, NSC37393, 6553AF, NSC-37393, NSC401001, SBB056637, AKOS001631407, Bis(3-methyl-1-phenyl-5-pyrazalone), CCG-106576, MCULE-9638792969, NSC-401001, KS-0000117X, AC-30015, TR-024141, FT-0617012, Bispyrazolone, JIS special grade, >=97.0%, C-20508, 3,3-Dimethyl-1,1-Diphenyl-4,4-bi(5-Pyrazolone), 4,4'-Bis-(3-methyl-1-phenyl-2-pyrazolin-5-one), 4,4'-BIS-(1-PHENYL-3-METHYL-5-PYRAZOLONE), I14-19633, 3,3'-Dimethyl-1,1-diphenyl-(4,4'-bi-2-pyrazoline)-5,5'-dione, Bispyrazolone, for TLC derivatization, for the det.of cyanide, >=98.0%, 2,2',4,4'-Tetrahydro-5,5'-dimethyl-2,2'-diphenyl-[4,4'-Bi-3H-pyrazole]-3,3'-dione, 3,3'-dimethyl-1,1'-diphenyl-1H,1'H-4,4'-bipyrazole-5,5'(4H,4'H)-dione, 3-methyl-4-(3-methyl-5-oxo-1-phenyl(2-pyrazolin-4-yl))-1-phenyl-2-pyrazolin-5- one, 5,5'-dimethyl-2,2'-diphenyl-2,2',4,4'-tetrahydro-3H,3'H-4,4'-bipyrazole-3,3'-dione, 5-methyl-4-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-phenyl-4H-pyrazol-3-one, 3,3 inverted exclamation marka-Dimethyl-1,1 inverted exclamation marka-diphenyl-(4,4 inverted exclamation marka-bi-2-pyrazoline)-5,5 inverted exclamation marka-dione, C20H18N4O2, KST-1A8229, CID95807, AR-1A9076, C20-H18-N4-O2, CS-T-07241, 3,3'-Dimethyl-1,1'-diphenyl-4,4'-bi-5-pyrazolone, 78451-64-6,

Complexity	588
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	346.143g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	346.39g/mol
Monoisotopic Mass	346.143g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	65.3A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P261-P272-P280-P302+P352+P333+P313+P363-P501
UN Code

Certificate of Analysis

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