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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
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
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.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
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
LogP 5.447400000000002 RDKit

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

Molar

Property Value Source
Molar Refractivity 146.4653999999999 RDKit

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