9,10-Dimethylanthracene - ≥94% , CAS No.781-43-1

CAS: 781-43-1 Cat. No.: D106357 Molecular Weight: 206.28 Beilstein Registry Number: 1909028 EC Number: 212-308-4

GRADE & PURITY ≥94%

Synonyms

HSDB 4324 | D0252 | InChI=1/C16H14/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16/h3-10H,1-2H | DI986077VR | 9:10-Dimethylanthracene | LS-14469 | SB66498 | A865092 | GNF-Pf-2329 | NSC4220 | NSC-4220 | 9,10-Dimethylanthracene, analytical standard | 9-10-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

HSDB 4324 | D0252 | InChI=1/C16H14/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16/h3-10H, 1-2H | DI986077VR | 9:10-Dimethylanthracene | LS-14469 | SB66498 | A865092 | GNF-Pf-2329 | NSC4220 | NSC-4220 | 9, 10-Dimethylanthracene, analytical standard | 9-10-

Specifications & Purity

≥94%

Storage

Room temperature

Shipped In

Normal

Purity

≥94%

Names and Identifiers

• Pubchem Sid: 488181789
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181789
• Canonical Smiles: CC1=C2C=CC=CC2=C(C3=CC=CC=C13)C
• IUPAC Name: 9,10-dimethylanthracene
• InChIKey: JTGMTYWYUZDRBK-UHFFFAOYSA-N
• INCHI: 1S/C16H14/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16/h3-10H,1-2H3
• Isomeric SMILES: CC1=C2C=CC=CC2=C(C3=CC=CC=C13)C
• WGK Germany: 3
• RTECS: CA9685000
• Molecular Weight: 206.28
• Beilstein: 1909028
• Reaxy-Rn: 1909028
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1909028&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Anthracenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenes
• Alternative Parents: Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthracene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
• 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(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Toluene. Insoluble in water.
• Boil Point(°C): 140-142°C
• Melt Point(°C): 180-185°C
• Molecular Weight: 206.280 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 206.11 Da
• Monoisotopic Mass: 206.11 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 194.000
• 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

References

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