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Molecule
Disperse Yellow 64
CAS: 10319-14-9 · C18H10BrNO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10319-14-9
- Molecular Formula
- C18H10BrNO3
- Molecular Mass
- 368.19 g/mol
Identifiers
CAS Registry Number
10319-14-9
SMILES
O=C1c2ccccc2C(=O)C1c1nc2ccccc2c(Br)c1O
InChI Key
DVBLPJWQXDCAKU-UHFFFAOYSA-N
InChI
InChI=1S/C18H10BrNO3/c19-14-11-7-3-4-8-12(11)20-15(18(14)23)13-16(21)9-5-1-2-6-10(9)17(13)22/h1-8,13,23H
Names and Synonyms
- Disperse Yellow 64 Synonym
- 1H-Indene-1,3(2H)-dione, 2-(4-bromo-3-hydroxy-2-quinolinyl)- Synonym
- 1,3-Indandione, 2-(4-bromo-3-hydroxy-2-quinolyl)- Synonym
- 2-(4-Bromo-3-hydroxy-2-quinolinyl)-1H-indene-1,3(2H)-dione Synonym
- 3′-Hydroxy-4′-bromoquinophthalone Synonym
- 4-Bromo-3-hydroxyquinophthalone Synonym
- Miketon Polyester Yellow 3GSL Synonym
- C.I. Disperse Yellow 64 Synonym
- Tersetile Yellow 3GL Synonym
- Palanil Yellow 3G Synonym
- Dispersion Yellow VP 247 Synonym
- Disperse Yellow 64 Synonym
- Samaron Yellow H 3GL Synonym
- Transetile Yellow P 3GL Synonym
- Resolin Yellow 3GL Synonym
- Dianix Yellow F 3G-E Synonym
- Sumikaron Yellow SE 3GL Synonym
- Tulasteron Fast Yellow 3G-B Synonym
- Solvaperm Yellow G Synonym
- Disperse Yellow 3G Synonym
- Navilene Yellow 3G Synonym
- C.I. 47023 Synonym
- Dianix Yellow F 3G-E concentrate Synonym
- Solvent Yellow 176 Synonym
- C.I. Solvent Yellow 176 Synonym
- 4-Bromo-3-hydroxy-2-(1,3-indandion-2-yl)quinoline Synonym
- Disperse Yellow E 3G Synonym
- Dianix Yellow E 3G Synonym
- Allilon Yellow 3G Synonym
- Disperse Yellow 4GL Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 368.19 g/mol | CAS Common Chemistry |
| 368.18600000000004 g/mol | RDKit | |
| 368.186 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)C1C3=NC=4C=CC=CC4C(Br)=C3O | CAS Common Chemistry |
| InChI | InChI=1S/C18H10BrNO3/c19-14-11-7-3-4-8-12(11)20-15(18(14)23)13-16(21)9-5-1-2-6-10(9)17(13)22/h1-8,13,23H | CAS Common Chemistry |
| InChI Key | InChIKey=DVBLPJWQXDCAKU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 242-244 °C | CAS Common Chemistry |
| Name | Disperse Yellow 64 | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 67.26 Ų | RDKit |
| 66.73 Ų | chempirical lib | |
| LogP | 3.8657000000000017 | RDKit |
| 3.8657 | RDKit | |
| Molar Refractivity | 88.95180000000003 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0556 | RDKit |
| 0.06 | chempirical lib | |
| Exact Mass | 366.98440528 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 |
|---|
200 ppm
180
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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 = 368.19 g/mol. Edit any field — others recompute live.
