AG0032JQ

41864-22-6 | 1,1'-Carbonyl-di(1,2,4-triazole)

AG0032JQ

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CAS Number	41864-22-6
Catalog Number	AG0032JQ(AGN-PC-0LAD54)
Chemical Name	1,1'-Carbonyl-di(1,2,4-triazole)
IUPAC Name	bis(1,2,4-triazol-1-yl)methanone
InChI	InChI=1S/C5H4N6O/c12-5(10-3-6-1-8-10)11-4-7-2-9-11/h1-4H
InChI Key	YHNUDLCUIKMNSN-UHFFFAOYSA-N
MDL Number	MFCD00043399
Molecular Formula	C5H4N6O
Molecular Weight	164.1249
SMILES	O=C(n1ncnc1)n2ncnc2
Synonyms	41864-22-6, Di(1H-1,2,4-triazol-1-yl)methanone, 1,1'-CARBONYL-DI(1,2,4-TRIAZOLE), 1,1'-Carbonyl-di-(1,2,4-triazole), 1,1'-Carbonyldi(1,2,4-triazole), Bis-[1,2,4]triazol-1-yl-methanone, AK161822, J-503727, Bis(1,2,4-triazol-1-yl)methanone, ACMC-209jm4, AC1NA03G, SCHEMBL83387, KSC490O6D, CTK3J0761, DTXSID80402806, YHNUDLCUIKMNSN-UHFFFAOYSA-N, ZINC2584455, ANW-29690, MFCD00043399, 1,1-Carbonyl-di(1,2,4-triazole), 1,1'-Carbonylbis(1,2,4-triazole), AKOS015909898, DS-7412, FCH1115849, OR52603, RP22683, RTR-016483, TRA0100466, KS-000000G0, 1,1\'-Carbonyl-di(1,2,4-triazole), Bis(1H-1,2,4-triazol-1-yl)methanone, Bis(1H-1,2,4-triazole-1-yl) ketone, 1,1'-Carbonylbis(1H-1,2,4-triazole), AC-24866, AJ-43445, (3-azabicyclo[3.1.0]hex-6-yl)methanol, bis [1H-1,2,4-triazol-1-yl]-methanone, AX8052323, TR-016483, AM20100110, CS-0008406, FT-0651820, ST24046435, V1228, C-48903, I14-3190, F0001-1171, 1-(1H-1,2,4-triazole-1-carbonyl)-1H-1,2,4-triazole, 1,1 inverted exclamation marka-Carbonyl-di-(1,2,4-triazole), 1,1'-Carbonyl-di-(1,2,4-triazole), technical, >=90% (T), C5H4N6O, CID4393961, C2325, CDT ( N,N'-Carbonyl-di-(1,2,3-tiazole)), 1,1'-Carbonyl-di-(1,2,4-triazole), 97% - 100G 100g, CDT, 289037-48-5,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.045g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	164.128g/mol
Monoisotopic Mass	164.045g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	78.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number