Disperse Blue 14 - ≥95% , CAS No.2475-44-7

CAS: 2475-44-7 Cat. No.: D334836 Summenformel: C₁₆H₁₄N₂O₂ Molekulargewicht: 266.30 Beilstein Registry Number: 2220693 EG-Nummer: 219-602-1

GRADE & PURITY ≥95%

Synonyms

Anthraquinone, 1,4-bis(methylamino)- | C.I. Solvent Blue 93 | Acetate Blue B | C.I. 61500 | Disperse Blue 78 | QOSTVEDABRQTSU-UHFFFAOYSA-N | Disperse Blue 14, Dye content 97 % | 1,4-Bis(methylamino)-9,10-anthraquinone | 1,4-BIS(METHYLAMINO)ANTHRAQUINONE |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Anthraquinone, 1,4-bis(methylamino)- | C.I. Solvent Blue 93 | Acetate Blue B | C.I. 61500 | Disperse Blue 78 | QOSTVEDABRQTSU-UHFFFAOYSA-N | Disperse Blue 14, Dye content 97 % | 1,4-Bis(methylamino)-9,10-anthraquinone | 1,4-BIS(METHYLAMINO)ANTHRAQUINONE |

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

488182363

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182363

Kanonisches Lächeln

CNC1=C2C(=C(C=C1)NC)C(=O)C3=CC=CC=C3C2=O

IUPAC Name

1,4-bis(methylamino)anthracene-9,10-dione

InChIKey

QOSTVEDABRQTSU-UHFFFAOYSA-N

INCHI

1S/C16H14N2O2/c1-17-11-7-8-12(18-2)14-13(11)15(19)9-5-3-4-6-10(9)16(14)20/h3-8,17-18H,1-2H3

Isomere SMILES

CNC1=C2C(=C(C=C1)NC)C(=O)C3=CC=CC=C3C2=O

WGK Deutschland

3

RTECS

CB5750000

Molekulargewicht

266.30

Beilstein

2220693

Reaxy-Rn

2220693

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2220693&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: Aryl ketones Secondary alkylarylamines Vinylogous amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 9,10-anthraquinone - Anthraquinone - Aryl ketone - Secondary aliphatic/aromatic amine - Vinylogous amide - Ketone - Secondary amine - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water (partly), CH3CN (10 mg/ml), alcohols, acetone, and toluene.
• Brechungsindex: n20D1.72 (Predicted)
• Siedepunkt (°C): ~528.0° C at 760 mmHg (Predicted)
• Schmelzpunkt (°C): 220-222° C (lit.)
• Molekulargewicht: 266.290 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 266.106 Da
• Monoisotopic Mass: 266.106 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 371.000
• 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