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Molecule
Fluorescent Brightener 135
CAS: 1041-00-5 · C18H14N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1041-00-5
- Molecular Formula
- C18H14N2O2
- Molecular Mass
- 290.32 g/mol
Identifiers
CAS Registry Number
1041-00-5
SMILES
Cc1ccc2oc(C=Cc3nc4cc(C)ccc4o3)nc2c1
InChI Key
VKRZNAWSCAUDRQ-UHFFFAOYSA-N
InChI
InChI=1S/C18H14N2O2/c1-11-3-5-15-13(9-11)19-17(21-15)7-8-18-20-14-10-12(2)4-6-16(14)22-18/h3-10H,1-2H3
Names and Synonyms
- Fluorescent Brightener 135 Common Name
- Benzoxazole, 2,2′-(1,2-ethenediyl)bis[5-methyl- Synonym
- Benzoxazole, 2,2′-vinylenebis[5-methyl- Synonym
- 2,2′-(1,2-Ethenediyl)bis[5-methylbenzoxazole] Synonym
- 1,2-Bis(5-methyl-2-benzoxazolyl)ethylene Synonym
- 1,2-Bis(5′-methyl-2′-benzoxazolyl)ethylene Synonym
- 1,2-Bis(5-methyl-2-benzoxazolyl)ethene Synonym
- C.I. 481520 Synonym
- Fluorescent Brightener 135 Synonym
- C.I. Fluorescent Brightening Agent 135 Synonym
- Uvitex ERN CONC P Synonym
- Whitex ERN Synonym
- Uvitex ERN Synonym
- C.I. Fluorescent Brightener 135 Synonym
- Uvitex ERN-P Synonym
- 2,2′-Vinylenebis[5-methylbenzoxazole] Synonym
- α,β-Di(5-methylbenzoxazol-2-yl)ethene Synonym
- Hakkol STR Synonym
- Illuminarl BGF Synonym
- DT Synonym
- DT (brightener) Synonym
- ERN-P Synonym
- Fluorescent Brightener PF Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 290.32 g/mol | CAS Common Chemistry |
| 290.322 g/mol | RDKit | |
| 291.33 g/mol | chempirical lib | |
| Canonical SMILES | N1=C(OC=2C=CC(=CC12)C)C=CC3=NC=4C=C(C=CC4O3)C | CAS Common Chemistry |
| InChI | InChI=1S/C18H14N2O2/c1-11-3-5-15-13(9-11)19-17(21-15)7-8-18-20-14-10-12(2)4-6-16(14)22-18/h3-10H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VKRZNAWSCAUDRQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 183-184 °C @ Solvent: Dichloromethane, Ethanol | CAS Common Chemistry |
| Name | Fluorescent Brightener 135 | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 52.06 Ų | RDKit |
| LogP | 4.756240000000003 | RDKit |
| 4.7562 | RDKit | |
| Molar Refractivity | 86.42000000000002 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1111 | RDKit |
| Exact Mass | 290.105527688 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| 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 = 290.32 g/mol. Edit any field — others recompute live.
