(Chloroethynyl)benzene - ≥95%(HPLC) , CAS No.1483-82-5

CAS: 1483-82-5 Cat. No.: C464026 Fórmula: C₈H₅Cl Peso molecular: 136.58 Número EC: 683-348-1

CALIDAD & PUREZA ≥95%(HPLC)

Synonyms

DTXSID90163951 | AKOS015890739 | 2-Chloro-1-phenylacetylene | Benzene, (chloroethynyl)- | InChI=1/C8H5Cl/c9-7-6-8-4-2-1-3-5-8/h1-5 | SCHEMBL211397 | (Chloroethynyl)benzene, >=95.0% (HPLC) | (Chloroethynyl)benzene | Benzene,(chloroethynyl)- | BAA48382 | 2-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Especificaciones

Sinónimos

DTXSID90163951 | AKOS015890739 | 2-Chloro-1-phenylacetylene | Benzene, (chloroethynyl)- | InChI=1/C8H5Cl/c9-7-6-8-4-2-1-3-5-8/h1-5 | SCHEMBL211397 | (Chloroethynyl)benzene, >=95.0% (HPLC) | (Chloroethynyl)benzene | Benzene,(chloroethynyl)- | BAA48382 | 2-

Especificaciones y pureza

≥95%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥95%(HPLC)

Nombres e identificadores

Pubchem Sid

488187923

Sonrisas canónicas

C1=CC=C(C=C1)C#CCl

IUPAC Name

2-chloroethynylbenzene

InChIKey

GDWZLADUGAKASM-UHFFFAOYSA-N

INCHI

1S/C8H5Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H

Isómeros SMILES

C1=CC=C(C=C1)C#CCl

WGK Alemania

3

Peso molecular

136.58

Reaxy-Rn

1856338

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1856338&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Haloacetylenes and derivatives Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Haloacetylene or derivatives - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

• Punto de inflamación (°F): 158 °F
• Punto de inflamación (°C): 70 °C
• Peso molecular: 136.580 g/mol
• XLogP3: 3.500
• 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