1,4-Diamino-2,3-dichloroanthraquinone - ≥93% , CAS No.81-42-5

CAS: 81-42-5 Cat. No.: D154750 Peso molecular: 307.13 Número EC: 201-348-8

GRADE & PURITY ≥93%

Synonyms

EINECS 201-348-8 | SCHEMBL2254507 | 1,4-Diamino-2,3-dichloroanthraquinone | 1,4-diamino-2,3-dichloro-anthraquinone | KZYAYVSWIPZDKL-UHFFFAOYSA-N | A840129 | 1,4-diamino-2,3-dichloro-9,10-dihydroanthracene-9,10-dione | 1,4-diamino-2,3-dichloro anthraquinon

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

EINECS 201-348-8 | SCHEMBL2254507 | 1, 4-Diamino-2, 3-dichloroanthraquinone | 1, 4-diamino-2, 3-dichloro-anthraquinone | KZYAYVSWIPZDKL-UHFFFAOYSA-N | A840129 | 1, 4-diamino-2, 3-dichloro-9, 10-dihydroanthracene-9, 10-dione | 1, 4-diamino-2, 3-dichloro anthraquinon

Especificaciones y pureza

≥93%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥93%

Nombres e identificadores

• Pubchem Sid: 504754004
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754004
• Sonrisas canónicas: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C(=C3N)Cl)Cl)N
• IUPAC Name: 1,4-diamino-2,3-dichloroanthracene-9,10-dione
• InChIKey: KZYAYVSWIPZDKL-UHFFFAOYSA-N
• INCHI: 1S/C14H8Cl2N2O2/c15-9-10(16)12(18)8-7(11(9)17)13(19)5-3-1-2-4-6(5)14(8)20/h1-4H,17-18H2
• Isómeros SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C(=C3N)Cl)Cl)N
• Peso molecular: 307.13
• Reaxy-Rn: 2155113
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2155113&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: Aryl ketones Aryl chlorides Vinylogous amides Primary amines Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 9,10-anthraquinone - Anthraquinone - Aryl ketone - Aryl chloride - Aryl halide - Vinylogous amide - Ketone - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic homopolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 307.100 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 305.996 Da
• Monoisotopic Mass: 305.996 Da
• Topological Polar Surface Area: 86.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 405.000
• 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

Referencias

1. Yihang Zhang, Bican Hu, Hongye Wang, Jing Guo, Fucheng Guan, Fangxin Zou, Xuecui Song, Xinbin Ji, Jiahao He.  (2025)  Development of a multi-module cryogenic spinning technology based on coupled ε-solvent effect and cryogenically induced phase separation for the fabrication of polymeric aerogel fibers.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.171932]