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Molecule
C.I. Fluorescent Brightener 260
CAS: 16090-02-1 · C40H40N12Na2O8S2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16090-02-1
- Molecular Formula
- C40H40N12Na2O8S2
- Molecular Mass
- 926.95 g/mol
Identifiers
CAS Registry Number
16090-02-1
SMILES
O=S(=O)(O)c1cc(N=c2[nH]c(N3CCOCC3)nc(=Nc3ccccc3)[nH]2)ccc1C=Cc1ccc(N=c2[nH]c(N3CCOCC3)nc(=Nc3ccccc3)[nH]2)cc1S(=O)(=O)O.[Na].[Na]
InChI Key
PFPSOHUWWBPJTI-UHFFFAOYSA-N
InChI
InChI=1S/C40H40N12O8S2.2Na/c53-61(54,55)33-25-31(43-37-45-35(41-29-7-3-1-4-8-29)47-39(49-37)51-17-21-59-22-18-51)15-13-27(33)11-12-28-14-16-32(26-34(28)62(56,57)58)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52-19-23-60-24-20-52;;/h1-16,25-26H,17-24H2,(H,53,54,55)(H,56,57,58)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;
Names and Synonyms
- C.I. Fluorescent Brightener 260 Synonym
- CBUS 450 Synonym
- Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-(4-morpholinyl)-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, sodium salt (1:2) Synonym
- 2,2′-Stilbenedisulfonic acid, 4,4′-bis[(4-anilino-6-morpholino-s-triazin-2-yl)amino]-, disodium salt Synonym
- Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-(4-morpholinyl)-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt Synonym
- Disodium 4,4′-bis(4-anilino-6-morpholino-s-triazin-2-ylamino)stilbene-2,2′-disulfonate Synonym
- Sodium 4,4′-bis(2-anilino-4-morpholino-6-amino-1,3,5-triazinyl)stilbene-2,2′-disulfonate Synonym
- Disodium 4,4′-bis(2-anilino-4-morpholino-1,3,5-triazin-6-ylamino)-2,2′-stilbenedisulfonate Synonym
- Disodium 4,4′-bis[(2-anilino-4-morpholino-s-triazin-6-yl)amino]-2,2′-stilbenedisulfonate Synonym
- Disodium 4,4′-bis(4-anilino-2-morpholino-s-triazin-6-ylamino)stilbene-2,2′-disulfonate Synonym
- 4,4′-Bis[4′′-anilino-6′′-morpholinotriazinyl-2′′-amino]stilbene-2,2′-disulfonic acid disodium salt Synonym
- 4,4′-Bis(2-morpholino-4-anilino-s-triazinyl-6-amino)stilbene-2,2′-disulfonic acidisulfonic acid d disodium salt Synonym
- Disodium 4,4′-bis(2-morpholino-4-phenylamino-s-triazin-6-ylamino)stilbine-2,2′-disulfonate Synonym
- Tinopal AMS Synonym
- Blankophor MBBH Synonym
- C.I. Fluorescent Brightener 260 Synonym
- Tinopal EMS Synonym
- Blankophor BBH Synonym
- Mikephor TB Synonym
- MBBH 766 Synonym
- Tinopal DMS-X Synonym
- C.I. Fluorescent Brightener 71 Synonym
- Calcofluor White RC Synonym
- Leukopur PAM Synonym
- Stralex MD Synonym
- Belotex KD Synonym
- Hiltamine Arctic White DML Synonym
- Phorwite MBBH 766 Synonym
- C.I. Fluorescent Brightener 244 Synonym
- Heliofor 3BC Synonym
- C.I. Fluorescent Brightener 250 Synonym
- Heliofor BDC Synonym
- Rylux D Synonym
- C.I. 40625 Synonym
- Fluorescent Brightener 71 Synonym
- Whitex SA Synonym
- Kayaphor MAS Synonym
- Whitex SA extra conc.(H) Synonym
- Blancophor BBH Synonym
- Optiblanc 2MG Synonym
- DAS 1 Synonym
- Blankophor DML Synonym
- Belofor KD 2 Synonym
- Tinopal DMS Synonym
- Photine CBUS 560B Synonym
- Photine CBUS Synonym
- Brightener BR 15 Synonym
- DAS 1 (brightener) Synonym
- Tinopal AMS-GX Synonym
- 4,4′-Bis[(6-anilino-4-morpholino-1,3,5-triazin-2-yl)amino]-2,2′-disulfostilbene disodium salt Synonym
- Disodium 4,4′-bis[(4-anilino-6-morpholino-1,3,5-triazin-2-yl)amino]stilbene-2,2′-disulfonate Synonym
- FB 71 Synonym
- Tinopal DMA-X Synonym
- 4,4′-Bis[(4-anilino-6-morpholino-1,3,5-triazin-2-yl)amino]stilbene-2,2′-disulfonic acid disodium salt Synonym
- Fluorescent Brightener 260 Synonym
- Fluorescent Brightener CXT Synonym
- CXT Synonym
- Optiblanc 2M/G-LT Synonym
- DMS Synonym
- DMA-X Synonym
- 2M/G-LT Synonym
- Brightener 33 Synonym
- Tinopal DMA Synonym
- Photine CBUS-B 560 Synonym
- D-MS Synonym
- Disodium anilinomorpholinotriazinyl-aminostilbenesulfonate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 926.95 g/mol | CAS Common Chemistry |
| 926.9499999999997 g/mol | RDKit | |
| 928.952 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=S(=O)(O)C1=CC(=CC=C1C=CC2=CC=C(C=C2S(=O)(=O)O)NC3=NC(=NC(=N3)N4CCOCC4)NC=5C=CC=CC5)NC6=NC(=NC(=N6)N7CCOCC7)NC=8C=CC=CC8 | CAS Common Chemistry |
| InChI | InChI=1S/C40H40N12O8S2.2Na/c53-61(54,55)33-25-31(43-37-45-35(41-29-7-3-1-4-8-29)47-39(49-37)51-17-21-59-22-18-51)15-13-27(33)11-12-28-14-16-32(26-34(28)62(56,57)58)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52-19-23-60-24-20-52;;/h1-16,25-26H,17-24H2,(H,53,54,55)(H,56,57,58)(H2,41,43,45,47,49)(H2,42,44,46,48,50);; | CAS Common Chemistry |
| InChI Key | InChIKey=PFPSOHUWWBPJTI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >270 °C | CAS Common Chemistry |
| Name | C.I. Fluorescent Brightener 260 | CAS Common Chemistry |
| Heavy Atom Count | 64 | RDKit |
| Hydrogen Bond Acceptors | 14 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 6 | RDKit |
| Topological Polar Surface Area | 272.05999999999995 Ų | RDKit |
| 272.06 Ų | RDKit | |
| LogP | 2.2940000000000023 | RDKit |
| 2.294 | RDKit | |
| 2.27 | chempirical lib | |
| Molar Refractivity | 238.66599999999954 cm³/mol | RDKit |
| Ring Count | 8 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 926.2328868000002 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 926.95 g/mol. Edit any field — others recompute live.