AG0033VB

1122-28-7 | 4,5-Dicyanoimidazole

AG0033VB

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CAS Number	1122-28-7
Catalog Number	AG0033VB(AGN-PC-0JL9W0)
Chemical Name	4,5-Dicyanoimidazole
EC Number	214-344-6
IUPAC Name	1H-imidazole-4,5-dicarbonitrile
InChI	InChI=1S/C5H2N4/c6-1-4-5(2-7)9-3-8-4/h3H,(H,8,9)
InChI Key	XGDRLCRGKUCBQL-UHFFFAOYSA-N
MDL Number	MFCD00005194
Molecular Formula	C5H2N4
Molecular Weight	118.0962
NSC Number	113954
SMILES	C(#N)C=1N=CNC1C#N
Synonyms	4,5-dicyanoimidazole, 4,5-Dicyanoimidazole, 1122-28-7, 1H-Imidazole-4,5-dicarbonitrile, Imidazole-4,5-dicarbonitrile, 4,5-Imidazoledicarbonitrile, MFCD00005194, XGDRLCRGKUCBQL-UHFFFAOYSA-N, 4,5-Dicyanoimidazole, 99%, C5H2N4, EINECS 214-344-6, NSC113954, PubChem7602, Moa 7, imidazole-4,5-dinitrile, AC1Q4RKI, ACMC-1BRR7, AC1L2EQ7, 4,5-Dicyano-1H-imidazole, SCHEMBL20204, KSC177Q8R, 4,5-Dicyanoimidazole, 95%, Jsp000937, 1H-imidazol-4,5-dikohlenitrile, CTK0H7888, KS-00000EDZ, ZINC90751, 4,5-Dicyanoimidazole, 99.0%, DTXSID00149943, ACT02018, ALBB-028108, STR00733, ANW-16420, BBL027504, CD-261, SBB066964, STL001786, AKOS002240570, AC-3058, AM83819, CM14065, CS-W001962, LS20988, MCULE-2748958740, NSC-113954, PS-3323, RP19294, RTR-032218, TRA0021179, AJ-10848, AK-44196, AN-13373, BP-21384, BR-44196, CJ-00722, I865, SC-00374, ZB003198, AB0013913, AB1001708, DB-000407, TR-032218, D2026, FT-0617175, ST24032681, ST45255397, EN300-77565, 1H-imidazole, 1-(1H-imidazol-1-ylsulfonyl)-, 22D287, 4,5-DICYANOIMIDAZOLE in anhydrous acetonitril, I14-0004, Q-100973, I14-22801, 4,5-Dicyanoimidazole solution, 0.25 M in acetonitrile, F3308-1854, InChI=1/C5H2N4/c6-1-4-5(2-7)9-3-8-4/h3H,(H,8,9, 19485-44-0, 1H-Imidazol-4,5-dicarbonitril, 1,1'-sulfonylbis(1H-imidazole), C5-H2-N4, CID70729, AR-1C3509, ACN-052312, 4,5-Dicyanoimidazole, 99% - 1G 1g, 4,5-Dicyanoimidazole, 99% - 5G 5g, M-3547, 4,5-Dicyanoimidazole; 1H-Imidazole-4,5- dicarbonitrile, 1131-47-1, DCI,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	118.028g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	118.099g/mol
Monoisotopic Mass	118.028g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	76.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H315-H318-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 3267

Certificate of Analysis

Lot Number