9-Methylanthracene - ≥98% , CAS No.779-02-2

CAS: 779-02-2 Cat. No.: M573197 Fórmula: C₁₅H₁₂ Peso molecular: 192.26 Beilstein Registry Number: 1907463 Número CE: 212-299-7

GRAU & PUREZA ≥98%

Synonyms

CCRIS 2740 | 65NK4CIN03 | BBL103720 | NSC 400540 | UNII-65NK4CIN03 | EINECS 212-299-7 | MFCD00001261 | 9-methyl-anthracene | DTXSID3061134 | 9-methyl anthracene | NSC-400540 | WLN: L C666J B1 | CHEMBL1797294

Storage

Protected from light,Room temperature

Shipped In

Normal

Especificações

Sinónimos

CCRIS 2740 | 65NK4CIN03 | BBL103720 | NSC 400540 | UNII-65NK4CIN03 | EINECS 212-299-7 | MFCD00001261 | 9-methyl-anthracene | DTXSID3061134 | 9-methyl anthracene | NSC-400540 | WLN: L C666J B1 | CHEMBL1797294

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Protected from light,Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

528762955

Sorrisos canónicos

CC1=C2C=CC=CC2=CC3=CC=CC=C13

IUPAC Name

9-methylanthracene

InChIKey

CPGPAVAKSZHMBP-UHFFFAOYSA-N

INCHI

1S/C15H12/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13/h2-10H,1H3

SMILES isoméricas

CC1=C2C=CC=CC2=CC3=CC=CC=C13

WGK Alemanha

3

RTECS

CB0700000

Número UN

3077

Peso molecular

192.26

Beilstein

1907463

Reaxy-Rn

1907463

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907463&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water (0,0003 mg/L at 25°C) and toluene. Slightly soluble in benzene.
• Sensibilidade: Sensitive to light
• Ponto de ebulição (°C): 196-197°C/16mmHg
• Ponto de fusão (°C): 76-79°C
• Peso molecular: 192.250 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 192.094 Da
• Monoisotopic Mass: 192.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 198.000
• 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