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Intravat Blue GF
CAS: 130-20-1 | C28H12Cl2N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
130-20-1
Molecular Formula:
C28H12Cl2N2O4
Molecular Weight:
511.3200000000003 g/mol
Names and Synonyms:
Intravat Blue GF
Synonym
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
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
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 511.3200000000003 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 510.01741222399994 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 36 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 7 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 99.85999999999999 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 5.447400000000002 | RDKit |
| molecular_mass | 511.32 g/mol | Legacy Database |
| cas-canonical-smile | O=C1C=2C=CC=CC2C(=O)C=3C1=CC(Cl)=C4NC=5C(NC43)=C(Cl)C=C6C(=O)C=7C=CC=CC7C(=O)C65 None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=UGCDBQWJXSAYIL-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Blue K None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 146.4653999999999 | RDKit |