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52237-03-3

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Basic Information
CAS No.: 52237-03-3
Name: dipotassium 4,4'-bis(4-phenyl-2H-1,2,3-triazol-2-yl)stilbene-2,2'-disulphonate
Molecular Structure:
Molecular Structure of 52237-03-3 (dipotassium 4,4'-bis(4-phenyl-2H-1,2,3-triazol-2-yl)stilbene-2,2'-disulphonate)
Formula: C30H22 N6 O6 S2 . 2 K
Molecular Weight: 702.88 2
Synonyms: Benzenesulfonicacid, 2,2'-(1,2-ethenediyl)bis[5-(4-phenyl-2H-1,2,3-triazol-2-yl)-, dipotassiumsalt (9CI); 2H-1,2,3-Triazole, benzenesulfonic acid deriv.; Phorwite BHC 766
Safety: Experimental reproductive effects. An eye irritant. When heated to decomposition it emits toxic fumes of NOx, and SOx.
PSA: 192.58000
LogP: 6.32220
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Chemistry

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

Toxicity Data With Reference

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.

Consensus Reports

 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.

Safety Profile

Experimental reproductive effects. An eye irritant. When heated to decomposition it emits toxic fumes of NOx, and SOx.

Specification

 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.