Fluorescent brightener 85

Molecular Structure of C.I. Fluorescent Brightener 85 (CAS NO. 17958-73-5):

EINECS: 241-883-4
IUPAC Name: Disodium 5-[[4-anilino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate 
Molecular Formula: C₃₆H₃₄N₁₂Na₂O₈S₂
Molecular Weight: 872.840300 g/mol
H-Bond Donor: 8
H-Bond Acceptor: 20
Freely Rotating Bonds: 14
Canonical SMILES: C1=CC=C(C=C1)NC2=NC(=NC(=N2)NCCO)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)NCCO)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Isomeric SMILES: C1=CC=C(C=C1)NC2=NC(=NC(=N2)NCCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)NCCO)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
InChI: InChI=1S/C36H36N12O8S2.2Na/c49-19-17-37-31-43-33(39-25-7-3-1-4-8-25)47-35(45-31)41-27-15-13-23(29(21-27)57(51,52)53)11-12-24-14-16-28(22-30(24)58(54,55)56)42-36-46-32(38-18-20-50)44-34(48-36)40-26-9-5-2-6-10-26;;/h1-16,21-22,49-50H,17-20H2,(H,51,52,53)(H,54,55,56)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48);;/q;2*+1/p-2/b12-11+;;
InChIKey: HIMNALZNLAOESZ-YHPRVSEPSA-L
Polar Surface Area of C.I. Fluorescent Brightener 85 (CAS NO. 17958-73-5): 240.74 Ų

Reported in EPA TSCA Inventory.

Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of NO_x and SO_x.

  C.I. Fluorescent Brightener 85 with cas registry number of 17958-73-5 is also known as 2,2'-(1,2-Ethenediyl)bis(5-((4-(2-hydroxyethyl)amino)-6-(phenylamino)- ; 1,3,5-triazin-2-yl)amino)benzenesulfonic acid disodium salt ; C.I. 406225 ; FBA 85 ; Fluorescent Brightener 85 ; Kayaphor AB ; Kayaphor B ; Kayaphor LB ; Mikephor BP ; Mikephor BX ; Mikephor BX Conc ; Whitex BH ; Whitex BK ; Whitex LBH ; 2,2'-Stilbenedisulfonic acid, 4,4'-bis((4-anilino-6-((2-hydroxyethyl)amino)-s-triazin-2-yl)amino)-, disodium salt ; Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-((2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, disodium salt ; Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-((2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, sodium salt (1:2) ; Disodium 4,4'-bis((4-anilino-6-((2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate .