4-Chlorostyrene - ≥97%(GC), contains 500ppm TBC as stabilizer , CAS No.1073-67-2

CAS: 1073-67-2 Cat. No.: C121719 Formula: H₂C=CHC₆H₄Cl Peso molecolare: 138.59 Beilstein Registry Number: 1098859 Numero EC: 214-028-8

GRADE & PURITY ≥97%(GC), contains 500ppm TBC as stabilizer

Synonyms

Parachlorostyrene | 1-Chloro-4-vinylbenzene | 1-chloro-4-ethenylbenzene | Benzene, 1-chloro-4-ethenyl- | P-Chlorostyrene

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

4-Chlorostyrene is a para-halogenated styrene derivative. It undergoes graft copolymerization with acrylonitrile (AN) onto ethylene-propylene-diene terpolymer (EPDM) in the presence of benzoyl peroxide (initiator).
4-Chlorostyrene was used in the following studies: · Study of chemical and biochemical properties of the vinyl group of styrene by the development of structure activity relationships (SAR). · Preparation of new bis(pyrazolyl)borato olefin complexes of copper(I). · To investigate the regioselectivity in the cationic Heck reaction of 4-substituted styrenes.

Specifications

Sinonimi

Parachlorostyrene | 1-Chloro-4-vinylbenzene | 1-chloro-4-ethenylbenzene | Benzene, 1-chloro-4-ethenyl- | P-Chlorostyrene

Specifiche e purezza

≥97%(GC), contains 500ppm TBC as stabilizer

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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

Purezza

≥97%(GC)

Nomi e identificatori

Pubchem Sid

504752521

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752521

Sorrisi canonici

C=CC1=CC=C(C=C1)Cl

IUPAC Name

1-chloro-4-ethenylbenzene

InChIKey

KTZVZZJJVJQZHV-UHFFFAOYSA-N

INCHI

1S/C8H7Cl/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2

Isomeri SMILES

C=CC1=CC=C(C=C1)Cl

WGK Germania

3

RTECS

CZ0533000

Peso molecolare

138.59

Beilstein

1098859

Reaxy-Rn

1098859

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098859&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Styrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Chlorobenzenes Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene 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

Proprietà chimiche e fisiche

• Solubilità: Immiscible with water.
• Sensibilità: light sensitive;heat sensitive
• Indice di rifrazione: 1.565
• Punto di infiammabilità (°C): 64°C
• Punto di ebollizione (°C): 191-192°C
• Punto di fusione (°C): -16°C
• Peso molecolare: 138.590 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 138.024 Da
• Monoisotopic Mass: 138.024 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 90.700
• 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