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

CAS: 1483-82-5 Cat. No.: C464026 Formula: C₈H₅Cl Peso molecolare: 136.58 Numero EC: 683-348-1

GRADE & PURITY ≥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

Specifications

Sinonimi

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-

Specifiche e purezza

≥95%(HPLC)

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%(HPLC)

Nomi e identificatori

• Pubchem Sid: 488187923
• Sorrisi canonici: 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
• Isomeri SMILES: C1=CC=C(C=C1)C#CCl
• WGK Germania: 3
• Peso molecolare: 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
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): 158 °F
• Punto di infiammabilità (°C): 70 °C
• Peso molecolare: 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