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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
Names and Synonyms:
Blue K
5,9,14,18-Anthrazinetetrone, 7,16-dichloro-6,15-dihydro-
C.I. 69825
Indanthrene, 7,16-dichloro-
7,16-Dichloro-6,15-dihydro-5,9,14,18-anthrazinetetrone
Ahcovat Blue BCF
Alizanthrene Blue RC
Amanthrene Blue BCL
Atic Vat Blue BC
Benzadone Blue RC
Calcoloid Blue BLC
Calcoloid Blue BLD
Calcoloid Blue BLFD
Calcoloid Blue BLR
Caledon Blue XRC
Carbanthrene Blue BCF
Carbanthrene Blue BCS
Carbanthrene Blue RBCF
Carbanthrene Blue RCS
Cibanone Blue FG
Cibanone Blue FGF
Cibanone Blue FGL
Cibanone Blue GF
C.I. Vat Blue 6
3,3′-Dichloroindanthrone
7,16-Dichloroindanthrone
7:16-Dichloro-6:15-indanthrone
Fenan Blue BCS
Fenanthren Blue BC
Fenanthren Blue BD
Helanthrene Blue BC
Indanthren Blue BC
Indanthren Blue BCA
Indanthren Blue BCS
Indanthrene Blue BC
Indo Blue B-I
Indo Blue WD 279
Indotoner Blue B 79
Mikethrene Blue BC
Mikethrene Blue BCS
Monolite Fast Blue 2RVSA
Monolite Fast Blue 2RV
Navinon Blue BC
Navinon Brilliant Blue RCL
Nihonthrene Blue BC
Nihonthrene Brilliant Blue RCL
Nyanthrene Blue BFP
Ostanthren Blue BCL
Ostanthren Blue BCS
Palanthrene Blue BC
Palanthrene Blue BCA
Paradone Blue RC
Pernithrene Blue BC
Ponsol Blue BCS
Ponsol Blue BF
Ponsol Blue BFD
Ponsol Blue BFDP
Ponsol Blue BFN
Ponsol Blue BFND
Ponsol Blue BFP
Resinated Indo Blue B 85
Romantrene Blue FBC
Sandothrene Blue NG
Sandothrene Blue NGR
Sandothrene Blue NGW
Solanthrene Blue B
Solanthrene Blue SB
Tinon Blue GF
Tinon Blue GL
Vat Fast Blue BCS
D and C Blue No. 9
Harmone B 79
Indanthrene Blue BCF
Vat Blue 6
Vat Sky Blue KP 2F
Blue K
Dichloroindanthrone
Solanthrene Blue F-SBA
Vat Blue KD
Vat Sky Blue KD
Vat Sky Blue K
Vat Green B
Intravat Blue GF
C.I. Pigment Blue 64
Pigment Blue 64
Sumitone Fast Blue 3RS
Novatic Blue BC
Vat Blue BC
Japan Blue 204
NSC 74700
Cibanone Blue GFJ-MD
Mikethren Blue BC Super-fine
D&C Blue No. 9
D&C Blue 9
Identifiers:
SMILES:
O=c1c2ccccc2c(=O)c2c1cc(Cl)c1[nH]c3c([nH]c12)c(Cl)cc1c(=O)c2ccccc2c(=O)c13
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
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 | 511.32 g/mol | CAS Common Chemistry |
| 511.3200000000003 g/mol | RDKit | |
| 510.01741222399994 g/mol | RDKit | |
| 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 |
| LogP | 5.447400000000002 | RDKit |
| Molar Refractivity | 146.4653999999999 | RDKit |
