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Disperse Yellow 64
CAS: 10319-14-9 | C18H10BrNO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10319-14-9
Molecular Formula:
C18H10BrNO3
Molecular Mass:
368.19 g/mol
Names and Synonyms:
Disperse Yellow 64
1H-Indene-1,3(2H)-dione, 2-(4-bromo-3-hydroxy-2-quinolinyl)-
1,3-Indandione, 2-(4-bromo-3-hydroxy-2-quinolyl)-
2-(4-Bromo-3-hydroxy-2-quinolinyl)-1H-indene-1,3(2H)-dione
3′-Hydroxy-4′-bromoquinophthalone
4-Bromo-3-hydroxyquinophthalone
Miketon Polyester Yellow 3GSL
C.I. Disperse Yellow 64
Tersetile Yellow 3GL
Palanil Yellow 3G
Dispersion Yellow VP 247
Disperse Yellow 64
Samaron Yellow H 3GL
Transetile Yellow P 3GL
Resolin Yellow 3GL
Dianix Yellow F 3G-E
Sumikaron Yellow SE 3GL
Tulasteron Fast Yellow 3G-B
Solvaperm Yellow G
Disperse Yellow 3G
Navilene Yellow 3G
C.I. 47023
Dianix Yellow F 3G-E concentrate
Solvent Yellow 176
C.I. Solvent Yellow 176
4-Bromo-3-hydroxy-2-(1,3-indandion-2-yl)quinoline
Disperse Yellow E 3G
Dianix Yellow E 3G
Allilon Yellow 3G
Disperse Yellow 4GL
Identifiers:
SMILES:
O=C1c2ccccc2C(=O)C1c1nc2ccccc2c(Br)c1O
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
Key Properties
Melting Point
242-244 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 368.19 g/mol | CAS Common Chemistry |
| 368.18600000000004 g/mol | RDKit | |
| 366.98440528 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 |
| LogP | 3.8657000000000017 | RDKit |
| Molar Refractivity | 88.95180000000003 | RDKit |
