1-Chloro-2-ethynylbenzene - ≥98% , CAS No.873-31-4

CAS: 873-31-4 Cat. No.: W134592 Peso molecular: 136.58 Número EC: 628-265-3 PubChem CID: 585995

GRADE & PURITY ≥98%

Synonyms

BBL102601 | (2-Chlorophenyl)ethyne | 2'-Chlorophenyl acetylene | 2-chlorophenyl acetylene | 2-Chlorophenylacetylene | FT-0672590 | AM20060743 | C2750 | InChI=1/C8H5Cl/c1-2-7-5-3-4-6-8(7)9/h1,3-6 | DTXSID40342931 | Z1080385584 | 1-Chloro-2-ethynylbenzene,

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

1-Chloro-2-ethynylbenzene is a chlorinated benzene derivative.

1-Chloro-2-ethynylbenzene may be used in the synthesis of 4-(2-chlorophenylethynyl)-3-methyl-5-phenylisoxazole.

Specifications

Sinónimos

BBL102601 | (2-Chlorophenyl)ethyne | 2'-Chlorophenyl acetylene | 2-chlorophenyl acetylene | 2-Chlorophenylacetylene | FT-0672590 | AM20060743 | C2750 | InChI=1/C8H5Cl/c1-2-7-5-3-4-6-8(7)9/h1, 3-6 | DTXSID40342931 | Z1080385584 | 1-Chloro-2-ethynylbenzene,

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504759376
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759376
• Sonrisas canónicas: C#CC1=CC=CC=C1Cl
• IUPAC Name: 1-chloro-2-ethynylbenzene
• InChIKey: DGLHLIWXYSGYBI-UHFFFAOYSA-N
• INCHI: 1S/C8H5Cl/c1-2-7-5-3-4-6-8(7)9/h1,3-6H
• Isómeros SMILES: C#CC1=CC=CC=C1Cl
• WGK Alemania: 3
• PubChem CID: 585995
• Peso molecular: 136.58

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aryl chlorides Acetylides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorobenzene - Aryl halide - Aryl chloride - Acetylide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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: Soluble in hexane.
• Sensibilidad: Heat sensitive; Air sensitive
• Índice de refracción: 1.571
• Punto de inflamación (°F): 158 °F
• Punto de inflamación (°C): 70 °C
• Punto de ebullición (°C): 82 °C
• Peso molecular: 136.580 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 136.008 Da
• Monoisotopic Mass: 136.008 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 131.000
• 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. Minkang Li, Lina Zhang, Zhongzheng Zhang, Jialin Shi, Yuefeng Liu, Jiansong Chen, Nannan Sun, Wei Wei.  (2021)  SiO2-Coated Ag Nanoparticles for Conversion of Terminal Alkynes to Propolic Acids via CO2 Insertion.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.1c01101]

2. Jialin Shi, Lina Zhang, Nannan Sun, Deng Hu, Qun Shen, Fang Mao, Qiang Gao, Wei Wei.  (2019)  Facile and Rapid Preparation of Ag@ZIF-8 for Carboxylation of Terminal Alkynes with CO2 in Mild Conditions.  ACS Applied Materials & Interfaces,      [PMID:31313900] [10.1021/acsami.9b07991]