p-Xylylene Dicyanide - ≥97%(GC) , CAS No.622-75-3

CAS: 622-75-3 Cat. No.: P160069 Peso molecular: 156.19 Beilstein Registry Number: 9875 Número EC: 210-751-8 PubChem CID: 69327

GRADE & PURITY ≥97%(GC)

Synonyms

AKOS004905241 | X0061 | 1,4-Phenylenediacetonitrile, 99% | 14-Phenylenediacetonitrile | 9UNC3XG7WL | SY050098 | MFCD00001923 | 2,2'-(1,4-phenylene)diacetonitrile | AM20040883 | 1,4-Benzenediacetonitrile | DTXSID7060758 | A24728 | 1,4-Phenylenediacetonitri

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS004905241 | X0061 | 1, 4-Phenylenediacetonitrile, 99% | 14-Phenylenediacetonitrile | 9UNC3XG7WL | SY050098 | MFCD00001923 | 2, 2'-(1, 4-phenylene)diacetonitrile | AM20040883 | 1, 4-Benzenediacetonitrile | DTXSID7060758 | A24728 | 1, 4-Phenylenediacetonitri

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

• Pubchem Sid: 488184291
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184291
• Sonrisas canónicas: C1=CC(=CC=C1CC#N)CC#N
• IUPAC Name: 2-[4-(cyanomethyl)phenyl]acetonitrile
• InChIKey: FUQCKESKNZBNOG-UHFFFAOYSA-N
• INCHI: 1S/C10H8N2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h1-4H,5-6H2
• Isómeros SMILES: C1=CC(=CC=C1CC#N)CC#N
• WGK Alemania: 3
• PubChem CID: 69327
• Peso molecular: 156.19
• Beilstein: 9875
• Reaxy-Rn: 1866157

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyl cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl cyanides
• Alternative Parents: Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl-cyanide - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by a phenyl 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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water.
• Punto de fusión (°C): 95-99 °C
• Peso molecular: 156.180 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 156.069 Da
• Monoisotopic Mass: 156.069 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 193.000
• 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. Guoqiang Yu, Yuyang Liu, Xuejie Yang, Yarong Li, Yongqiang Li, Yanbo Zhang, Chiyang He.  (2023)  A robust sp2 carbon-conjugated COF for efficient iodine uptake.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2023.123401]

2. Lili Liang, Jiayi Zhang, Xiaoyan Lin, Hao Zhang, Chunxia Pang, Xunhai Pan, Yang Hu, Yan Chen, Xuegang Luo, Ran Shang.  (2022)  Synthesis of a pompon like fully-conjugated organic polymer for highly selective uranium removal.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2022.129952]

3. Xiaofeng Li, Yingdi Zou, Zhimin Jia, Jie Zhang, Yang Li, Xinghua Guo, Meicheng Zhang, Kun Li, Jing Li, Lijian Ma.  (2020)  A fully conjugated organic polymer via Knoevenagel condensation for fast separation of uranium.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:33113739] [10.1016/j.jhazmat.2020.123802]

4. Bian Li, Junde Zhang, Juan Wang, Xiaofang Chen.  (2024)  Aggregation-Induced Emission-Active Cyanostilbene-Based Liquid Crystals: Self-Assembly, Photophysical Property, and Multiresponsive Behavior.  MOLECULES,  29  (23): (5811).  [PMID:39683967] [10.3390/molecules29235811]

5. Na Liang, Yingxue Xu, Wei Zhao, Zhenrong Liu, Gang Li, Shaoping Sun.  (2024)  AIE luminogen labeled polymeric micelles for biological imaging and chemotherapy.  COLLOIDS AND SURFACES B-BIOINTERFACES,      [PMID:38340417] [10.1016/j.colsurfb.2024.113792]

6. Yu Liu, Qiuhui Deng, Yao Yu, Hong Chen, Chunlin Liu, Le Li, Qingyun Cai, Deshuai Zhen.  (2025)  Novel amidoxime-functionalized covalent organic frameworks synergistically promote UO22+ removal via photocatalytic reduction and adsorption.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.131461]

7. Meng Tian, Ziming Qiao, Xingzheng Peng, Zan Zhang, Xuewu Gao, Yi Feng, Xiaojie Zhang.  (2025)  Synergistic Interactions of a Pyridinium Nitride Cationic Skeleton and Succinonitrile for Electrolytes with High Stability for Solid-State Batteries.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.5c01507]

8. Shuangshuang Liu, Rui Zhao, Zhen Lu, Linxi Hou.  (2025)  Linkage structure strategy of conjugated microporous polymers for the photocatalytic synthesis of H2O2 from water and air.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2025.165272]