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4,4′-Bis((4-bis((2-hydroxyethyl)amino)-6-chloro-s-triazin-2-yl)amino)-2,2′-stilbenedisulfonic acid, disodium salt

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Name

4,4′-Bis((4-bis((2-hydroxyethyl)amino)-6-chloro-s-triazin-2-yl)amino)-2,2′-stilbenedisulfonic acid, disodium salt

EINECS N/A
CAS No. 4028-32-4 Density g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C28H32 Cl2 N10 O10 S2 . 2 Na Boiling Point °Cat760mmHg
Molecular Weight 847.68 Flash Point °C
Transport Information N/A Appearance N/A
Safety An eye irritant. When heated to decomposition it emits toxic fumes of NOx, SOx, and Cl. Risk Codes N/A
Molecular Structure Molecular Structure of 4028-32-4 (disodium 4,4'-bis[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate) Hazard Symbols N/A
Synonyms

2,2'-Stilbenedisulfonicacid, 4,4'-bis[[4-[bis(2-hydroxyethyl)amino]-6-chloro-s-triazin-2-yl]amino]-,disodium salt (7CI,8CI); Benzenesulfonic acid,2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-,disodium salt (9CI); Hakkol RN; Sodium4,4'-(bis[2-chloro-4-diethanolamino-1,3,5-triazyl-(6)])-diaminostilbene-2,2'-disulfonate

 

4,4′-Bis((4-bis((2-hydroxyethyl)amino)-6-chloro-s-triazin-2-yl)amino)-2,2′-stilbenedisulfonic acid, disodium salt Chemical Properties

Molecular Structure of 4,4′-Bis((4-bis((2-hydroxyethyl)amino)-6-chloro-s-triazin-2-yl)amino)-2,2′-stilbenedisulfonic acid, disodium salt (CAS NO. 4028-32-4):

IUPAC Name: disodium 5-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
Empirical Formula: C28H30Cl2N10Na2O10S2 
Molecular Weight: 847.6143  
H bond acceptors: 20
H bond donors: 8
Freely Rotating Bonds: 20
Polar Surface Area: 252.72 Å2 
InChI
InChI=1/C28H32Cl2N10O10S2.2Na/c29-23-33-25(37-27(35-23)39(7-11-41)8-12-42)31-19-5-3-17(21(15-19)51(45,46)47)1-2-18-4-6-20(16-22(18)52(48,49)50)32-26-34-24(30)36-28(38-26)40(9-13-43)10-14-44;;/h1-6,15-16,41-44H,7-14H2,(H,45,46,47)(H,48,49,50)(H,31,33,35,37)(H,32,34,36,38);;/q;2*+1/p-2/b2-1+;;
Smiles
[Na+].[Na+].C(=C\c1c(cc(cc1)Nc1nc(nc(n1)N(CCO)CCO)Cl)S(=O)(=O)[O-])\c1c(cc(cc1)Nc1nc(nc(n1)N(CCO)CCO)Cl)S(=O)(=O)[O-]
Classification Code: Skin / Eye Irritant

4,4′-Bis((4-bis((2-hydroxyethyl)amino)-6-chloro-s-triazin-2-yl)amino)-2,2′-stilbenedisulfonic acid, disodium salt Toxicity Data With Reference

1.    

eye-rbt 100 mg MOD

    MVCRB3    Fluorescent Whitening Agents, Proceedings of A Symposium. 2 (1973),193.

4,4′-Bis((4-bis((2-hydroxyethyl)amino)-6-chloro-s-triazin-2-yl)amino)-2,2′-stilbenedisulfonic acid, disodium salt Consensus Reports

Reported in EPA TSCA Inventory.

4,4′-Bis((4-bis((2-hydroxyethyl)amino)-6-chloro-s-triazin-2-yl)amino)-2,2′-stilbenedisulfonic acid, disodium salt Safety Profile

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

4,4′-Bis((4-bis((2-hydroxyethyl)amino)-6-chloro-s-triazin-2-yl)amino)-2,2′-stilbenedisulfonic acid, disodium salt Specification

 4,4′-Bis((4-bis((2-hydroxyethyl)amino)-6-chloro-s-triazin-2-yl)amino)-2,2′-stilbenedisulfonic acid, disodium salt ,its CAS number is 4028-32-4,it can be called Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-, disodium salt .  4,4′-Bis((4-bis((2-hydroxyethyl)amino)-6-chloro-s-triazin-2-yl)amino)-2,2′-stilbenedisulfonic acid, disodium salt (CAS NO. 4028-32-4) is a high toxic substance,with flammability, burning will produce toxic fumes of nitrogen oxides and chloride,so it should be stored in cool and dry environment.Dry powder,foam,sand, carbon dioxide,water mist can be used if something urgent happened.

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