Molecular Structure of 4,4′-Bis(4-phenyl-2h-1,2,3-triazol-2-yl)-2,2′-stilbenedisulfonic acid dipotassium salt (CAS NO. 52237-03-3):
IUPAC Name: dipotassium 5-(4-phenyltriazol-2-yl)-2-[(E)-2-[4-(4-phenyltriazol-2-yl)-2-sulfonatophenyl]ethenyl]benzenesulfonate
Empirical Formula: C30H20K2N6O6S2
Molecular Weight: 702.843
H bond acceptors: 12
H bond donors: 2
Freely Rotating Bonds: 8
Polar Surface Area: 186.92 Å2
InChI
InChI=1/C30H22N6O6S2.2K/c37-43(38,39)29-17-25(35-31-19-27(33-35)21-7-3-1-4-8-21)15-13-23(29)11-12-24-14-16-26(18-30(24)44(40,41)42)36-32-20-28(34-36)22-9-5-2-6-10-22;;/h1-20H,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2/b12-11+;;
Smiles
[K+].[K+].C(=C\c1c(cc(cc1)n1ncc(n1)c1ccccc1)S(=O)(=O)[O-])\c1c(cc(cc1)n1ncc(n1)c1ccccc1)S(=O)(=O)[O-]
Classification Code: Reproductive Effect; Skin / Eye Irritant
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
cat | LD50 | oral | > 5gm/kg (5000mg/kg) | MVC-Report. Vol. 2, Pg. 193, 1973. | |
dog | LD50 | oral | > 5gm/kg (5000mg/kg) | MVC-Report. Vol. 2, Pg. 193, 1973. | |
guinea pig | LD50 | oral | > 5gm/kg (5000mg/kg) | MVC-Report. Vol. 2, Pg. 193, 1973. | |
mouse | LD50 | oral | > 15gm/kg (15000mg/kg) | MVC-Report. Vol. 2, Pg. 193, 1973. | |
rabbit | LD50 | oral | > 5gm/kg (5000mg/kg) | MVC-Report. Vol. 2, Pg. 193, 1973. | |
rat | LD50 | oral | > 15gm/kg (15000mg/kg) | MVC-Report. Vol. 2, Pg. 193, 1973. | |
rat | LD50 | skin | > 500mg/kg (500mg/kg) | MVC-Report. Vol. 2, Pg. 193, 1973. |
4,4′-Bis(4-phenyl-2h-1,2,3-triazol-2-yl)-2,2′-stilbenedisulfonic acid dipotassium salt (CAS NO. 52237-03-3) can be reported in MVCRB3 MVC-Report.
Experimental reproductive effects. An eye irritant. When heated to decomposition it emits toxic fumes of NOx, and SOx.
4,4′-Bis(4-phenyl-2h-1,2,3-triazol-2-yl)-2,2′-stilbenedisulfonic acid dipotassium salt ,its CAS number is 52237-03-3,it can be called 2,2'-Stilbenedisulfonic acid, 4,4'-bis(4-phenyl-2H-1,2,3-triazol-2-yl)-, dipotassium salt ; Dipotassium 4,4'-bis(4-phenyl-1,2,3-triazol-2-yl)stilbene-2,2'-disulfonate ; Dipotassium bis phenyl triazol stilbene disulfonate and so on. 4,4′-Bis(4-phenyl-2h-1,2,3-triazol-2-yl)-2,2′-stilbenedisulfonic acid dipotassium salt (CAS NO. 52237-03-3) is a high toxic substance,with flammability, burning will produce toxic nitrogen oxides and sulfur oxide gases,so it should be stored in cool and dry environment,separate from oxidant and acid.Dry powder,foam,sand, carbon dioxide,water mist can be used if something urgent happened.
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