2-Chlorostyrene - ≥97%, stabilized with 100ppm p-tert-butyl catechol , CAS No.2039-87-4

CAS: 2039-87-4 Cat. No.: C492343 Peso molecular: 138.59 Beilstein Registry Number: 2038863 Número EC: 218-026-8

GRADE & PURITY ≥97%, stabilized with 100ppm p-tert-butyl catechol

Synonyms

1-Chloro-2-vinylbenzene | 1-chloro-2-vinyl-benzene | SCHEMBL15848 | 1-chloro-2-ethenylbenzene | O-CHLOROSTYRENE [HSDB] | CCRIS 4598 | MFCD00000567 | 2-Chlorostyrene, 97%, contains 0.1% hydroquinone as stabilizer | HSDB 3450 | Z957339910 | ZA43R4Q315 | FT-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

1-Chloro-2-vinylbenzene | 1-chloro-2-vinyl-benzene | SCHEMBL15848 | 1-chloro-2-ethenylbenzene | O-CHLOROSTYRENE [HSDB] | CCRIS 4598 | MFCD00000567 | 2-Chlorostyrene, 97%, contains 0.1% hydroquinone as stabilizer | HSDB 3450 | Z957339910 | ZA43R4Q315 | FT-

Especificaciones y pureza

≥97%, stabilized with 100ppm p-tert-butyl catechol

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

≥97%

Nombres e identificadores

• Pubchem Sid: 488182042
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182042
• Sonrisas canónicas: C=CC1=CC=CC=C1Cl
• IUPAC Name: 1-chloro-2-ethenylbenzene
• InChIKey: ISRGONDNXBCDBM-UHFFFAOYSA-N
• INCHI: 1S/C8H7Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2
• Isómeros SMILES: C=CC1=CC=CC=C1Cl
• WGK Alemania: 3
• RTECS: WL4160000
• Número ONU: 1993
• Grupo de embalaje: I
• Peso molecular: 138.59
• Beilstein: 2038863
• Reaxy-Rn: 2038863
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2038863&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

Objetivos asociados (humanos)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water.
• Sensibilidad: Heat sensitive; Sensitive to light
• Índice de refracción: 1.565
• Punto de inflamación (°F): 58°C
• Punto de inflamación (°C): 58°C
• Punto de ebullición (°C): 187°C
• Punto de fusión (°C): -63°C
• Peso molecular: 138.590 g/mol
• XLogP3: 3.400
• 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. Xiaoying Feng, Yixin Kuang, Suxin Zhou, Juan Zheng, Gangfeng Ouyang.  (2023)  New insights into the effects of isomeric chlorine substitution on microstructures and enrichment capacities of functionalized polystyrene nanospheres.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.146887]

2. 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]

3. Jiale Mao, Shuang Wang, Qingyun Shi, Yonghong Cheng, Yu Chen.  (2022)  Excellent Vacuum Pulsed Flashover Characteristics Achieved in Dielectric Insulators Functionalized by Electronegative Halogen–Phenyl and Naphthyl Groups.  LANGMUIR,      [PMID:35313108] [10.1021/acs.langmuir.2c00228]

4. 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]