4-Phenyltoluene - ≥98% , CAS No.644-08-6

CAS: 644-08-6 Cat. No.: P115519 Formula: C₁₃H₁₂ Peso molecolare: 168.23 Beilstein Registry Number: 1904468 Numero EC: 211-409-0

GRADE & PURITY ≥98%

Synonyms

methyl biphenyl (4-) | 1-Methyl-4-phenylbenzene | 4-Phenyltoluene, >=98% | AKOS003364076 | Phenyltoluene, p- | 4-methyl-1 | 1-methyl-4-phenyl-benzene;4-Methylbiphenyl | CHEBI:88448 | BRN 1904468 | HY-W017077 | METHYLBIPHENYL, 4- | NCGC00256690-01 | P-METH

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

methyl biphenyl (4-) | 1-Methyl-4-phenylbenzene | 4-Phenyltoluene, >=98% | AKOS003364076 | Phenyltoluene, p- | 4-methyl-1 | 1-methyl-4-phenyl-benzene;4-Methylbiphenyl | CHEBI:88448 | BRN 1904468 | HY-W017077 | METHYLBIPHENYL, 4- | NCGC00256690-01 | P-METH

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488181700
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181700
• Sorrisi canonici: CC1=CC=C(C=C1)C2=CC=CC=C2
• IUPAC Name: 1-methyl-4-phenylbenzene
• InChIKey: ZZLCFHIKESPLTH-UHFFFAOYSA-N
• INCHI: 1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3
• Isomeri SMILES: CC1=CC=C(C=C1)C2=CC=CC=C2
• WGK Germania: 2
• RTECS: DV5460000
• Peso molecolare: 168.23
• Beilstein: 1904468
• Reaxy-Rn: 1904468
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1904468&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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): >110°
• Punto di ebollizione (°C): 267-268°C
• Punto di fusione (°C): 44-47°C
• Peso molecolare: 168.230 g/mol
• XLogP3: 4.600
• 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: 136.000
• 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

Riferimenti

1. Tao Bao, Sicen Wang, Nan Zhang, Juan Zhang.  (2021)  Facile synthesis and immobilization of functionalized covalent organic framework-1 for electrochromatographic separation.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:33848663] [10.1016/j.chroma.2021.462130]

2. Jian Wang, Peiping Zhang, Congcong Wang, Xuda Zheng, Yuanjun Zhao, Lina Li, Shiding Miao.  (2019)  Band structure tunable synthesis of photocatalytic porous aromatic frameworks via Scholl reaction.  MATERIALS & DESIGN,      [PMID:] [10.1016/j.matdes.2019.108371]

3. Xinhong Yu, Wei Zhou, Zilin Chen.  (2017)  In situ immobilization of layered double hydroxides as stationary phase for capillary electrochromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:29153915] [10.1016/j.chroma.2017.11.021]

4. Qinrui Fu, Yuan Meng, Zilin Fang, Quanqin Hu, Liang Xu, Wenhua Gao, Xiaochun Huang, Qiao Xue, Ya-Ping Sun, Fushen Lu.  (2017)  Boron Nitride Nanosheet-Anchored Pd–Fe Core–Shell Nanoparticles as Highly Efficient Catalysts for Suzuki–Miyaura Coupling Reactions.  ACS Applied Materials & Interfaces,      [PMID:28051299] [10.1021/acsami.6b13570]

5. Tao Bao, Pingxiu Tang, Deying Kong, Zhenkun Mao, Zilin Chen.  (2016)  Polydopamine-supported immobilization of covalent-organic framework-5 in capillary as stationary phase for electrochromatographic separation.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:27062718] [10.1016/j.chroma.2016.03.085]

6. Kaixuan Li, Jiali Wang, Yueteng Gao, Yang Xiao, Jin Liang, Yujie Zhu, Baohua Li, Feiyu Kang, Dengyun Zhai.  (2026)  Chemical prepotassiation design for long-cyclic graphite anode with inorganic-rich interphase.  CARBON,      [PMID:] [10.1016/j.carbon.2026.121398]

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). 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 644-08-6, the molecular formula is C13H12, and the molecular weight is 168.23 g/mol. InChIKey ZZLCFHIKESPLTH-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.