3-Chlorostyrene - ≥95%, contains 0.1% TBC as stabilizer , CAS No.2039-85-2

CAS: 2039-85-2 Cat. No.: C121720 Peso molecular: 138.59 Beilstein Registry Number: 2038489 Número EC: 218-024-7

GRADE & PURITY ≥95%, contains 0.1% TBC as stabilizer

Synonyms

A4440 | 3-Chlorostyrene, 96%, contains 0.1% TBC as stabilizer | NSC 18602 | AKOS009157282 | Q27251328 | AMY40226 | 3-Chlorostyrene (stabilized with TBC) | meta-chlorostyrene | EINECS 218-024-7 | SY017095 | HSDB 3452 | 1-chloro-3-ethenylbenzene | 1-Chloro-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

A4440 | 3-Chlorostyrene, 96%, contains 0.1% TBC as stabilizer | NSC 18602 | AKOS009157282 | Q27251328 | AMY40226 | 3-Chlorostyrene (stabilized with TBC) | meta-chlorostyrene | EINECS 218-024-7 | SY017095 | HSDB 3452 | 1-chloro-3-ethenylbenzene | 1-Chloro-

Especificaciones y pureza

≥95%, contains 0.1% TBC as stabilizer

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C=CC1=CC(=CC=C1)Cl
• IUPAC Name: 1-chloro-3-ethenylbenzene
• InChIKey: BOVQCIDBZXNFEJ-UHFFFAOYSA-N
• INCHI: 1S/C8H7Cl/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
• Isómeros SMILES: C=CC1=CC(=CC=C1)Cl
• WGK Alemania: 3
• Peso molecular: 138.59
• Beilstein: 2038489
• Reaxy-Rn: 2038489
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2038489&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Índice de refracción: 1.562
• Punto de inflamación (°F): 63°C
• Punto de inflamación (°C): 63°C
• Punto de ebullición (°C): 87°C/25mmHg
• Peso molecular: 138.590 g/mol
• XLogP3: 3.100
• 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: 98.700
• 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

Referencias

1. Xingcong Zhang, Hao Zhang, Guanghui Guo, Qingdi Sun, Xiaohui He, Hongbing Ji.  (2023)  Phosphorus-Doped Carbon-Supported Rh Nanoparticles for the Hydroformylation of Styrene with High Regioselectivity.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.2c04328]

2. Yi Yu, Meng Wang, Ying Wu, Hongxia Xi.  (2024)  In situ metallization of 2D COFs with acid/base site synergistic effects for boosting one-pot CO2 conversion.  Journal of Materials Chemistry A,  12  (32): (21398-21405).  [PMID:] [10.1039/D4TA03530E]

3. Qiang Chen, Zhi-Pu Li, Xiao-Qiong Pei, Yan Liu, M. Qaiser Fatmi, Zhong-Liu Wu.  (2024)  Thermostabilization and molecular dynamics simulation of NaStyA for highly enantioselective (R)-epoxidation of styrene analogues.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2024.114312]