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

CAS: 779-02-2 Cat. No.: M573197 Formule: C₁₅H₁₂ Poids moléculaire: 192.26 Beilstein Registry Number: 1907463 Numéro CE: 212-299-7

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528762955

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

RTECS

CB0700000

Numéro ONU

3077

Poids moléculaire

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
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water (0,0003 mg/L at 25°C) and toluene. Slightly soluble in benzene.
• Sensibilité: Sensitive to light
• Point d'ébullition (°C): 196-197°C/16mmHg
• Point de fusion (°C): 76-79°C
• Poids moléculaire: 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