2-Methylanthracene - ≥97% , CAS No.613-12-7

CAS: 613-12-7 Cat. No.: M306004 Peso molecular: 192.26 Número EC: 210-329-3

GRADE & PURITY ≥97%

Synonyms

MFCD00003583 | 2-Methylanthracene; NSC 87376 | DTXSID8060616 | EINECS 210-329-3 | Q21198615 | 6C868JOV4A | Methylanthracen | AS-48194 | FT-0632557 | 2-Methylanthracene, 97% | Anthracene, methyl- | NSC87376 | NSC-87376 | NSC 87376 | UNII-6C868JOV4A | InChI

Storage

Room temperature

Shipped In

Normal

Descripción general

2- methyl anthracene, anthracene and dimethyl anthracene are used as raw materials to copolymerize synthetic resin, which can be used as coatings, plastics, fluorescent agents and reagents.

Specifications

Sinónimos

MFCD00003583 | 2-Methylanthracene; NSC 87376 | DTXSID8060616 | EINECS 210-329-3 | Q21198615 | 6C868JOV4A | Methylanthracen | AS-48194 | FT-0632557 | 2-Methylanthracene, 97% | Anthracene, methyl- | NSC87376 | NSC-87376 | NSC 87376 | UNII-6C868JOV4A | InChI

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 24896783
• Sonrisas canónicas: CC1=CC2=CC3=CC=CC=C3C=C2C=C1
• IUPAC Name: 2-methylanthracene
• InChIKey: GYMFBYTZOGMSQJ-UHFFFAOYSA-N
• INCHI: 1S/C15H12/c1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11/h2-10H,1H3
• Isómeros SMILES: CC1=CC2=CC3=CC=CC=C3C=C2C=C1
• Peso molecular: 192.26
• Reaxy-Rn: 2042447
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042447&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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 acción

Propiedades químicas y físicas

• 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: 220.000
• 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