3,3'-Diméthylbiphényle - ≥98%(GC) , CAS No.612-75-9

CAS: 612-75-9 Cat. No.: D155039 Formule: C₁₄H₁₄ Poids moléculaire: 182.27 Beilstein Registry Number: 5609 Numéro CE: 210-319-9

GRADE & PURITY ≥98%(GC)

Synonyms

3,3'-Dimethyldiphenyl | 1-Methyl-3-(3'-methylphenyl)benzene | 1-methyl-3-(3-methylphenyl)benzene | NSC60024 | NSC-60024 | 1, 3,3'-dimethyl- | 3,3'-Dimethyl-1,1'-biphenyl | NSC 60024 | DTXSID90210111 | EINECS 210-319-9 | m,m'-Bitolyl | 3,3 inverted exclama

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

3,3'-Dimethyldiphenyl | 1-Methyl-3-(3'-methylphenyl)benzene | 1-methyl-3-(3-methylphenyl)benzene | NSC60024 | NSC-60024 | 1, 3,3'-dimethyl- | 3,3'-Dimethyl-1,1'-biphenyl | NSC 60024 | DTXSID90210111 | EINECS 210-319-9 | m,m'-Bitolyl | 3,3 inverted exclama

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488181485

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181485

Sourires canoniques

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

IUPAC Name

1-methyl-3-(3-methylphenyl)benzene

InChIKey

GVEDOIATHPCYGS-UHFFFAOYSA-N

INCHI

1S/C14H14/c1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14/h3-10H,1-2H3

Isomères SMILES

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

WGK Allemagne

3

Poids moléculaire

182.27

Beilstein

5609

Reaxy-Rn

1857912

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1857912&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Propriétés chimiques et physiques

• Indice de réfraction: 1.6
• Point d'éclair (°F): 235.4 °F
• Point d'éclair (°C): 113 °C
• Point d'ébullition (°C): 155 °C/18 mmHg
• Point de fusion (°C): 9 °C
• Poids moléculaire: 182.260 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 182.11 Da
• Monoisotopic Mass: 182.11 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 153.000
• 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 612-75-9, the molecular formula is C14H14, and the molecular weight is 182.27 g/mol. InChIKey GVEDOIATHPCYGS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.