Vat blue 6 - ≥95% , CAS No.130-20-1

CAS: 130-20-1 Cat. No.: V181060 Molecular Weight: 511.3 EC Number: 204-980-2 PubChem CID: 8532

GRADE & PURITY ≥95%

Synonyms

VAT BLUE 6|130-20-1|3,3'-Dichloroindanthrene|Ahcovat Blue BCF|C.I. Vat Blue 6|D&C Blue No. 9|Alizanthrene Blue RC|Carbanthrene Blue BCF|Navinon Blue BC|Dichloroindanthrone|Ponsol Blue BF|5,9,14,18-Anthrazinetetrone, 7,16-dichloro-6,15-dihydro-|Cibanone Bl

Storage

Room temperature

Shipped In

Normal

Overview

C.I.Var Blue 6 (CAS# 130-20-1) is a vat dye used for cotton fabrics dyeing. Materials dyed with C.I.Var Blue 6 have enhanced adsorption of metals and nanoparticles, useful for the preparation of materials for wastewater cleanup.

Specifications

Synonyms

VAT BLUE 6 | 130-20-1 | 3, 3'-Dichloroindanthrene | Ahcovat Blue BCF | C.I. Vat Blue 6 | D&C Blue No. 9 | Alizanthrene Blue RC | Carbanthrene Blue BCF | Navinon Blue BC | Dichloroindanthrone | Ponsol Blue BF | 5, 9, 14, 18-Anthrazinetetrone, 7, 16-dichloro-6, 15-dihydro- | Cibanone Bl

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488180824
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180824
• Canonical Smiles: C1=CC=C2C(=C1)C(=O)C3=CC(=C4C(=C3C2=O)NC5=C(C=C6C(=C5N4)C(=O)C7=CC=CC=C7C6=O)Cl)Cl
• IUPAC Name: 15,30-dichloro-2,17-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(30),3,6,8,10,13,15,18,21,23,25,28-dodecaene-5,12,20,27-tetrone
• InChIKey: UGCDBQWJXSAYIL-UHFFFAOYSA-N
• 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
• Isomeric SMILES: C1=CC=C2C(=C1)C(=O)C3=CC(=C4C(=C3C2=O)NC5=C(C=C6C(=C5N4)C(=O)C7=CC=CC=C7C6=O)Cl)Cl
• PubChem CID: 8532
• Molecular Weight: 511.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Quinoxalines
          • Level6 Phenazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Quinoxalines
• Direct Parent: Phenazines and derivatives
• Alternative Parents: Anthracenes Chloronaphthalenes Pyrazines Aryl chlorides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Anthracene - Phenazine - Chloronaphthalene - Aryl chloride - Aryl halide - Pyrazine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenazines and derivatives. These are polycyclic aromatic compounds containing a phenazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a pyrazine ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

A498 (42825 Activities)

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ACHN (49357 Activities)

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CAKI-1 (44928 Activities)

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CCRF-CEM (65223 Activities)

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COLO 205 (50209 Activities)

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DLD-1 (17511 Activities)

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DMS-273 (14108 Activities)

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HL-60 (67320 Activities)

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HT-29 (80576 Activities)

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K562 (73714 Activities)

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KM12 (47707 Activities)

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M14 (47487 Activities)

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MOLT-4 (49676 Activities)

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OVCAR-3 (48710 Activities)

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OVCAR-4 (44535 Activities)

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OVCAR-5 (45555 Activities)

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OVCAR-8 (47708 Activities)

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RPMI-8226 (44974 Activities)

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RXF 393 (41971 Activities)

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RXF 631 (11415 Activities)

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SF-295 (48000 Activities)

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SK-MEL-2 (46422 Activities)

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SK-MEL-28 (48833 Activities)

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SK-OV-3 (52876 Activities)

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SN12C (47755 Activities)

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SNB-19 (46794 Activities)

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SNB-78 (14240 Activities)

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TK-10 (45540 Activities)

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U-251 (51189 Activities)

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UACC-257 (46019 Activities)

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UACC-62 (47335 Activities)

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UO-31 (46270 Activities)

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786-0 (47912 Activities)

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A549 (127892 Activities)

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EKVX (44102 Activities)

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NCI-H322M (45589 Activities)

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HCC 2998 (41480 Activities)

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HCT-116 (91556 Activities)

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NCI-H460 (60772 Activities)

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SF-268 (49410 Activities)

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IGROV-1 (47897 Activities)

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KM-20L2 (14967 Activities)

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HOP-62 (47048 Activities)

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LXFL 529 (14112 Activities)

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M19-MEL (15326 Activities)

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Malme-3M (44254 Activities)

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SNB-75 (44215 Activities)

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NCI-H226 (44470 Activities)

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NCI-H23 (49055 Activities)

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NCI-H522 (44358 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 511.300 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 510.017 Da
• Monoisotopic Mass: 510.017 Da
• Topological Polar Surface Area: 92.300 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 926.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1