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CAS No.: | 4193-55-9 |
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Name: | Fluorescent Brightener 28 |
Molecular Structure: | |
Formula: | C40H44N12O10S2.2Na |
Molecular Weight: | 960.95 |
Synonyms: | 2,2'-Stilbenedisulfonicacid, 4,4'-bis[[4-anilino-6-[bis(2-hydroxyethyl)amino]-s-triazin-2-yl]amino]-,disodium salt (6CI,7CI);C.I. Fluorescent Brightening Agent 28, disodium salt(8CI);4,4'-Bis[4-anilino-6-bis(2-hydroxyethyl)amino-s-triazin-2-yl]amino-2,2'-stilbenedisulfonicacid disodium salt;BA (fluorescent brightener);Brightener BR 3;C.I. 40622;C.I. FluorescentBrightener 28;Cellufluor;Hiltamine Arctic White CWD;Kayaphor FB;Phorwite AR;Tinopal5BMS;Tinopal UNPA-GX; |
EINECS: | 224-073-5 |
Density: | 1.37[at 20℃] |
Melting Point: | 290oC |
Solubility: | 10-48.2g/L at 20-26℃ |
PSA: | 344.02000 |
LogP: | 5.04520 |
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Molecular Structure of Cellufluor (CAS NO. 4193-55-9):
IUPAC Name: Disodium 5-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
MW: Molecular Formula: C40H42N12Na2O10S2
Molecular Weight: 960.945420 g/mol
H-Bond Donor: 8
H-Bond Acceptor: 22
Melting Point: 290 °C
Freely Rotating Bonds: 22
Polar Surface Area: 259.2 Å2
EINECS: 224-073-5
Product Categories: Dye stuff;Organics
Canonical SMILES: C1=CC=C(C=C1)NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)N(CCO)CCO)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
InChI: InChI=1S/C40H44N12O10S2.2Na/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56;;/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;/q;2*+1/p-2
InChIKey: YJHDFAAFYNRKQE-UHFFFAOYSA-L
Cellufluor with cas registry number of 4193-55-9 is dye stuff mainly used in textile, paper, plastics and synthetic detergent industry.
1. | eye-rbt 35 mg MOD | MVCRB3 Fluorescent Whitening Agents, Proceedings of A Symposium. 2 (1973),193. | ||
2. | orl-rat LD50:14,530 mg/kg | MVCRB3 Fluorescent Whitening Agents, Proceedings of A Symposium. 2 (1973),193. | ||
3. | ipr-rat LD50:350 mg/kg | MVCRB3 Fluorescent Whitening Agents, Proceedings of A Symposium. 2 (1973),193. | ||
4. | scu-mus LD50:1000 mg/kg | MVCRB3 Fluorescent Whitening Agents, Proceedings of A Symposium. 2 (1973),193. | ||
5. | orl-gpg LD50:250 mg/kg | MVCRB3 Fluorescent Whitening Agents, Proceedings of A Symposium. 2 (1973),193. |
Poison by ingestion and intraperitoneal routes. Moderately toxic by subcutaneous route. An eye irritant. See also SULFONATES. When heated to decomposition it emits very toxic fumes of NOx, Na2O, and SOx.
Cellufluor with cas registry number of 4193-55-9 is also known as 2,2'-(1,2-Ethenediyl)bis(5-(4-(bis(2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)benzenesulfonic acid, disodium salt ; 4,4'-Bis((2-anilino-4-(bis(2-hydroxyethyl)amino)-1,3,5-triazin-6-yl)amino)stilbene-2,2'-disulfonic acid, disodium salt ; 4,4'-Bis((4-anilino-6-(bis(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)-stilbene-2,2'-disulfonic acid, disodium salt ; 4,4'-Bis((4-anilino-6-(bis(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulfonic acid, disodium salt ; Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, disodium salt ; Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, disodium salt ; Blancophor MS 31 ; Blancophor MS 72 ; Blancophor RG 96FS ; C.I. 40622 ; C.I. Fluorescent Brightener 28 ; C.I. Fluorescent Brightening Agent 28, disodium salt ; Calcofluor White LRP ; Calcofluor White M 2R ; Calcofluor White ST ; Fluorescent Brightener 28 ; Hiltamine Arctic White CWD ; Kayaphor FB ; Paper White BP ; Phorwite AR ; Tinopal 5BMS ; Tinopal UNPA ; Tinophen MS 31 ; Tinophen MS 72 ; Uvitex 4BM ; 2,2'-Stilbenedisulfonic acid, 4,4'-bis((4-anilino-6-bis(2-hydroxyethyl)amino-s-triazin-2-yl)amino)-, disodium salt ; Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, sodium salt (1:2) ; Disodium 4,4'-bis(6-anilino-(4-(bis(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate .