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17958-73-5

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Basic Information
CAS No.: 17958-73-5
Name: disodium 4,4'-bis[[4-anilino-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate
Molecular Structure:
Molecular Structure of 17958-73-5 (disodium 4,4'-bis[[4-anilino-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate)
Formula: C36H36 N12 O8 S2 . 2 Na
Molecular Weight: 872.92
Synonyms: 2,2'-Stilbenedisulfonicacid, 4,4'-bis[[4-anilino-6-[(2-hydroxyethyl)amino]-s-triazin-2-yl]amino]-,disodium salt (7CI,8CI); Benzenesulfonic acid,2,2'-(1,2-ethenediyl)bis[5-[[4-[(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-,disodium salt (9CI); C.I. 406225; C.I. Fluorescent Brightener 85; C.I.Fluorescent Brightening Agent 85; Disodium4,4'-bis[(4''-(2'''-hydroxyethylamino)-6''-anilino-1'',3'',5''-triazin-2''-yl)amino]-2,2'-stilbenedisulfonate;Disodium 4,4'-bis[[4-anilino-6-(2-hydroxyethylamino)-s-triazin-2-yl]amino]-2,2'-stilbenedisulfonate;FBA 85; Fluorescent Brightener 85; Kayaphor AB; Kayaphor B; Kayaphor BLS;Kayaphor LB; Mikephor BP; Mikephor BX; Mikephor BX Conc; VBL; Whitex BH; WhitexBK; Whitex BK conc.; Whitex LBH
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Solubility: 30.23g/L at 20℃
Hazard Symbols: Low toxicity by ingestion.
Safety: Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx.
PSA: 340.52000
LogP: 2.51100
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Chemistry

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 Å2

Toxicity Data With Reference

1.    

orl-mus LD50:10,700 mg/kg

     ESKHA5    Eisei Shikenjo Hokoku. Bulletin of the National Hygiene Sciences.(104),(1986),45.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx.

Specification

  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 .