4′-Hydroxy-4-biphenylcarbonitrile - ≥99% , CAS No.19812-93-2

CAS: 19812-93-2 Cat. No.: H124323 Peso molecular: 195.22 Beilstein Registry Number: 2937461 Número EC: 427-840-4

GRADE & PURITY ≥99%

Synonyms

HMS1414C12 | SCHEMBL83161 | 4*-Hydroxy-biphenyl-4-carbonitrile | AMY25210 | 4'-Cyano-4-biphenylol | [1,1'-Biphenyl]-4-carbonitrile, 4'-hydroxy- | WLN: 1R C1 E1 | 4'-hydroxy-4-cyanobiphenyl | 4-HYDROXY-4'-CYANOBIPHENYL | AC-26662 | BRN 1735833 | 4'-hydroxy

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

HMS1414C12 | SCHEMBL83161 | 4*-Hydroxy-biphenyl-4-carbonitrile | AMY25210 | 4'-Cyano-4-biphenylol | [1, 1'-Biphenyl]-4-carbonitrile, 4'-hydroxy- | WLN: 1R C1 E1 | 4'-hydroxy-4-cyanobiphenyl | 4-HYDROXY-4'-CYANOBIPHENYL | AC-26662 | BRN 1735833 | 4'-hydroxy

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488188086
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188086
• Sonrisas canónicas: C1=CC(=CC=C1C#N)C2=CC=C(C=C2)O
• IUPAC Name: 4-(4-hydroxyphenyl)benzonitrile
• InChIKey: ZRMIETZFPZGBEB-UHFFFAOYSA-N
• INCHI: 1S/C13H9NO/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-8,15H
• Isómeros SMILES: C1=CC(=CC=C1C#N)C2=CC=C(C=C2)O
• WGK Alemania: 3
• Peso molecular: 195.22
• Beilstein: 2937461
• Reaxy-Rn: 2937461
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2937461&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenylcarbonitriles
• Alternative Parents: Benzonitriles 1-hydroxy-2-unsubstituted benzenoids Nitriles Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenylcarbonitrile - Benzonitrile - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as biphenylcarbonitriles. These are organic compounds containing an acetonitrile with one hydrogen replaced by a biphenyl group.
• 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)

VEGFA Tclin Vascular endothelial growth factor A (159 Activities)

Discover Target: VEGFA

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

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water; Soluble in Ether,Ethanol
• Punto de fusión (°C): 197°C
• Peso molecular: 195.220 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 195.068 Da
• Monoisotopic Mass: 195.068 Da
• Topological Polar Surface Area: 44.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 239.000
• 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

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2. Xu Tang, Zhi Zhu, Renjie Liu, Liang Ni, Yue Qiu, Juan Han, Yun Wang.  (2018)  A novel OFF-ON-OFF fluorescence probe based on coumarin for Al3+ and F− detection and bioimaging in living cells.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:30562703] [10.1016/j.saa.2018.12.022]

3. Yong Wu, Hui Cao, Manyu Duan, Erli Li, Huihui Wang, Zhou Yang, Dong Wang, Wanli He.  (2018)  Effects of a chemically modified multiwall carbon nanotubes on electro-optical properties of PDLC films.  LIQUID CRYSTALS,      [PMID:] [10.1080/02678292.2017.1404153]

4. Xu Tang, Zhi Zhu, Yun Wang, Juan Han, Liang Ni, Lei Wang, Huiqin Zhang, Jing Li, Yue Qiu.  (2018)  A dual site controlled probe for fluorescent monitoring of intracellular pH and colorimetric monitoring of Cu2+.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2018.04.173]

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6. Sheng Yumiao, Xu Kedian, Wang Zhenzhen, Gao Yunling.  (2024)  A colorimetric and ratiometric fluorescent probe of hypochlorous acid and its bio-imaging application.  PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES,      [PMID:39704907] [10.1007/s43630-024-00672-w]

7. Rui-Zhe Zhou, Yan Zhang, Ji-Feng Gao, Shuai-Yin Ma, Hong-Shuang Zhang, Xiao-Zhi He.  (2024)  Chiral fluorescent liquid crystal polymers containing 4-bromo-1,8-naphthalimide – synthesis and properties.  LIQUID CRYSTALS,      [PMID:] [10.1080/02678292.2024.2330555]

8. Song Jun, Wang Linfeng, Shan Jicheng, Li Chuanmeng, Wang Mengdie.  (2024)  Effect of methylene lengths of 4-(ω-(methylimidazole)-alkyloxy)-4’-(cyano)-biphenyl on cellulose liquid crystal solution and its phase transition properties.  CELLULOSE,  31  (10): (6141-6153).  [PMID:] [10.1007/s10570-024-05993-8]

9. Shengbo Zhu, Yilin Su, Yongliang Liu, Xiaoling Niu, Wenzhi Zhang, Weixing Chen.  (2024)  Liquid crystals as electrolyte additives for improving the transmission paths of redox couples and performances of dye-sensitized solar cells.  OPTICAL MATERIALS,      [PMID:] [10.1016/j.optmat.2024.115007]

10. Weiwei Tie, Surjya Sarathi Bhattacharyya, Zhi Zheng, Kyung Jun Cho, Tae Hyung Kim, Young Jin Lim, Seung Hee Lee.  (2020)  Electric field assisted-unidirectional hybrid films of carbon nanotubes and liquid crystal polymer for light modulation.  LIQUID CRYSTALS,      [PMID:] [10.1080/02678292.2019.1647572]

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