4-Phenylpyridine - ≥97% , CAS No.939-23-1

CAS: 939-23-1 Cat. No.: P117997 Peso molecular: 155.2 Beilstein Registry Number: 110490 Número EC: 213-357-4

GRADE & PURITY ≥97%

Synonyms

5SH | DTXSID5022140 | p-Phenylpyridine | SMR000112292 | AC-5099 | Q27258800 | NSC70375 | NSC-70375 | NCGC00247406-01 | NSC77935 | NSC-77935 | Pyridine, phenyl- | 4-PHENYLPYRIDINE | 4-Phenyl-pyridine | BRN 0110490 | EN300-49165 | SCHEMBL19003057 | 5-20-07-

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

5SH | DTXSID5022140 | p-Phenylpyridine | SMR000112292 | AC-5099 | Q27258800 | NSC70375 | NSC-70375 | NCGC00247406-01 | NSC77935 | NSC-77935 | Pyridine, phenyl- | 4-PHENYLPYRIDINE | 4-Phenyl-pyridine | BRN 0110490 | EN300-49165 | SCHEMBL19003057 | 5-20-07-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488181881
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181881
• Sonrisas canónicas: C1=CC=C(C=C1)C2=CC=NC=C2
• IUPAC Name: 4-phenylpyridine
• InChIKey: JVZRCNQLWOELDU-UHFFFAOYSA-N
• INCHI: 1S/C11H9N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9H
• Isómeros SMILES: C1=CC=C(C=C1)C2=CC=NC=C2
• WGK Alemania: 3
• RTECS: UT7141000
• Peso molecular: 155.2
• Beilstein: 110490
• Reaxy-Rn: 110490
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=110490&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-phenylpyridine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN 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

Objetivos asociados (humanos)

MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)

Discover Target: MMP3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

Discover Target: IDO1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

Discover Target: IDH1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Qdpr Dihydropteridine reductase (31 Activities)

Discover Target: Qdpr

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

bla OXA-48 (65 Activities)

Discover Target: bla

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility in water: Insoluble in cold water; Solubility in other solvents: Soluble in ethanol and ethyl ether;Solubility in Methanol almost transparency
• Sensibilidad: Air sensitive
• Punto de ebullición (°C): 274-275°C
• Punto de fusión (°C): 69-73°C
• Peso molecular: 155.200 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 155.073 Da
• Monoisotopic Mass: 155.073 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 121.000
• 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

Referencias

1. Chao Liu, Lei Shi, Jiaxu Zhang, Jianmin Sun.  (2021)  One-pot synthesis of pyridine-based ionic hyper-cross-linked polymers with hierarchical pores for efficient CO2 capture and catalytic conversion.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2021.131633]

2. Xin Xiao, Shunheng Tu, Chunxia Zheng, Huan Zhong, Xiaoxi Zuo, Junmin Nan.  (2015)  L-Asparagine-assisted synthesis of flower-like β-Bi2O3 and its photocatalytic performance for the degradation of 4-phenylphenol under visible-light irradiation.  RSC Advances,  5  (91): (74977-74985).  [PMID:] [10.1039/C5RA13985F]

3. Wenzhen Lv, Ying Tang, Chaofei Han, Zhenzhen Miao, Chengxi Sun, Ligang Xu, Guangbao Wu, Zhuang Liu, Ye Tao, Runfeng Chen.  (2025)  Organic–Inorganic Hybrid Manganese(II) Halides with Reversible Thermochromic Luminescence for Anti-Counterfeiting and X-ray Imaging.  INORGANIC CHEMISTRY,      [PMID:40418147] [10.1021/acs.inorgchem.5c01148]

4. Shen Wang, Wenjie Wei, Yaran Wang, Rui Ma, Yunya Wu, Yunxian Yang, Yuxin Zuo, Zhiqi Liu, Pengfei Cheng.  (2026)  Design of high-performance ion-pairing luminescent dyes via donor group and alkyl chain engineering for agricultural light-converting films.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2026.113703]