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Blue K
CAS: 130-20-1 | C28H12Cl2N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 130-20-1
- Molecular Formula
- C28H12Cl2N2O4
- Molecular Mass
- 511.32 g/mol
Identifiers
CAS Registry Number
130-20-1
SMILES
O=c1c2ccccc2c(=O)c2c1cc(Cl)c1[nH]c3c([nH]c12)c(Cl)cc1c(=O)c2ccccc2c(=O)c13
InChI Key
UGCDBQWJXSAYIL-UHFFFAOYSA-N
InChI
InChI=1S/C28H12Cl2N2O4/c29-17-9-15-19(27(35)13-7-3-1-5-11(13)25(15)33)23-21(17)32-24-20-16(10-18(30)22(24)31-23)26(34)12-6-2-4-8-14(12)28(20)36/h1-10,31-32H
Names and Synonyms
- Blue K Synonym
- 5,9,14,18-Anthrazinetetrone, 7,16-dichloro-6,15-dihydro- Synonym
- C.I. 69825 Synonym
- Indanthrene, 7,16-dichloro- Synonym
- 7,16-Dichloro-6,15-dihydro-5,9,14,18-anthrazinetetrone Synonym
- Ahcovat Blue BCF Synonym
- Alizanthrene Blue RC Synonym
- Amanthrene Blue BCL Synonym
- Atic Vat Blue BC Synonym
- Benzadone Blue RC Synonym
- Calcoloid Blue BLC Synonym
- Calcoloid Blue BLD Synonym
- Calcoloid Blue BLFD Synonym
- Calcoloid Blue BLR Synonym
- Caledon Blue XRC Synonym
- Carbanthrene Blue BCF Synonym
- Carbanthrene Blue BCS Synonym
- Carbanthrene Blue RBCF Synonym
- Carbanthrene Blue RCS Synonym
- Cibanone Blue FG Synonym
- Cibanone Blue FGF Synonym
- Cibanone Blue FGL Synonym
- Cibanone Blue GF Synonym
- C.I. Vat Blue 6 Synonym
- 3,3′-Dichloroindanthrone Synonym
- 7,16-Dichloroindanthrone Synonym
- 7:16-Dichloro-6:15-indanthrone Synonym
- Fenan Blue BCS Synonym
- Fenanthren Blue BC Synonym
- Fenanthren Blue BD Synonym
- Helanthrene Blue BC Synonym
- Indanthren Blue BC Synonym
- Indanthren Blue BCA Synonym
- Indanthren Blue BCS Synonym
- Indanthrene Blue BC Synonym
- Indo Blue B-I Synonym
- Indo Blue WD 279 Synonym
- Indotoner Blue B 79 Synonym
- Mikethrene Blue BC Synonym
- Mikethrene Blue BCS Synonym
- Monolite Fast Blue 2RVSA Synonym
- Monolite Fast Blue 2RV Synonym
- Navinon Blue BC Synonym
- Navinon Brilliant Blue RCL Synonym
- Nihonthrene Blue BC Synonym
- Nihonthrene Brilliant Blue RCL Synonym
- Nyanthrene Blue BFP Synonym
- Ostanthren Blue BCL Synonym
- Ostanthren Blue BCS Synonym
- Palanthrene Blue BC Synonym
- Palanthrene Blue BCA Synonym
- Paradone Blue RC Synonym
- Pernithrene Blue BC Synonym
- Ponsol Blue BCS Synonym
- Ponsol Blue BF Synonym
- Ponsol Blue BFD Synonym
- Ponsol Blue BFDP Synonym
- Ponsol Blue BFN Synonym
- Ponsol Blue BFND Synonym
- Ponsol Blue BFP Synonym
- Resinated Indo Blue B 85 Synonym
- Romantrene Blue FBC Synonym
- Sandothrene Blue NG Synonym
- Sandothrene Blue NGR Synonym
- Sandothrene Blue NGW Synonym
- Solanthrene Blue B Synonym
- Solanthrene Blue SB Synonym
- Tinon Blue GF Synonym
- Tinon Blue GL Synonym
- Vat Fast Blue BCS Synonym
- D and C Blue No. 9 Synonym
- Harmone B 79 Synonym
- Indanthrene Blue BCF Synonym
- Vat Blue 6 Synonym
- Vat Sky Blue KP 2F Synonym
- Blue K Synonym
- Dichloroindanthrone Synonym
- Solanthrene Blue F-SBA Synonym
- Vat Blue KD Synonym
- Vat Sky Blue KD Synonym
- Vat Sky Blue K Synonym
- Vat Green B Synonym
- Intravat Blue GF Synonym
- C.I. Pigment Blue 64 Synonym
- Pigment Blue 64 Synonym
- Sumitone Fast Blue 3RS Synonym
- Novatic Blue BC Synonym
- Vat Blue BC Synonym
- Japan Blue 204 Synonym
- NSC 74700 Synonym
- Cibanone Blue GFJ-MD Synonym
- Mikethren Blue BC Super-fine Synonym
- D&C Blue No. 9 Synonym
- D&C Blue 9 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 511.32 g/mol | CAS Common Chemistry |
| 511.3200000000003 g/mol | RDKit | |
| 511.314 g/mol | chempirical lib | |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)C=3C1=CC(Cl)=C4NC=5C(NC43)=C(Cl)C=C6C(=O)C=7C=CC=CC7C(=O)C65 | CAS Common Chemistry |
| InChI | InChI=1S/C28H12Cl2N2O4/c29-17-9-15-19(27(35)13-7-3-1-5-11(13)25(15)33)23-21(17)32-24-20-16(10-18(30)22(24)31-23)26(34)12-6-2-4-8-14(12)28(20)36/h1-10,31-32H | CAS Common Chemistry |
| InChI Key | InChIKey=UGCDBQWJXSAYIL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Blue K | CAS Common Chemistry |
| Heavy Atom Count | 36 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 7 | RDKit |
| Topological Polar Surface Area | 99.85999999999999 Ų | RDKit |
| 99.86 Ų | RDKit | |
| 92.28 Ų | chempirical lib | |
| LogP | 5.447400000000002 | RDKit |
| 5.4474 | RDKit | |
| Molar Refractivity | 146.4653999999999 cm³/mol | RDKit |
| Ring Count | 7 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 510.01741222399994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
