3-Methylbiphenyl - ≥95%(GC) , CAS No.643-93-6

CAS: 643-93-6 Cat. No.: M136215 Summenformel: C₁₃H₁₂ Molekulargewicht: 168.24 Beilstein Registry Number: 5(4)1854 EG-Nummer: 211-404-3

GRADE & PURITY ≥95%(GC)

Synonyms

FT-0616142 | m-Methylbiphenyl | 1,1'-Biphenyl, 3-methyl- | 1-methyl-3-phenylbenzene | 1-methyl-3-phenyl-benzene | MFCD00008533 | Biphenyl, 3-methyl- | KFP6EO4J6P | Q27282235 | UNII-KFP6EO4J6P | A834740 | W-104845 | DTXSID4060941 | InChI=1/C13H12/c1-11-6-5

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

FT-0616142 | m-Methylbiphenyl | 1,1'-Biphenyl, 3-methyl- | 1-methyl-3-phenylbenzene | 1-methyl-3-phenyl-benzene | MFCD00008533 | Biphenyl, 3-methyl- | KFP6EO4J6P | Q27282235 | UNII-KFP6EO4J6P | A834740 | W-104845 | DTXSID4060941 | InChI=1/C13H12/c1-11-6-5

Spezifikationen & Reinheit

≥95%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%(GC)

Namen und Kennungen

Pubchem Sid

488181699

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181699

Kanonisches Lächeln

CC1=CC(=CC=C1)C2=CC=CC=C2

IUPAC Name

1-methyl-3-phenylbenzene

InChIKey

NPDIDUXTRAITDE-UHFFFAOYSA-N

INCHI

1S/C13H12/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-10H,1H3

Isomere SMILES

CC1=CC(=CC=C1)C2=CC=CC=C2

WGK Deutschland

3

Molekulargewicht

168.24

Beilstein

5(4)1854

Reaxy-Rn

2039658

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2039658&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Toluenes Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Toluene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.6
• Flammpunkt (°F): >235.4 °F
• Flammpunkt (°C): >113 °C
• Siedepunkt (°C): 272 °C
• Molekulargewicht: 168.230 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 168.094 Da
• Monoisotopic Mass: 168.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 144.000
• 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