3-cloro-2-clorometil-1-propeno - ≥97% , CAS No.1871-57-4

CAS: 1871-57-4 Cat. No.: C124660 Peso molecular: 124.99 Beilstein Registry Number: 1560178 Número EC: 217-489-3

GRADE & PURITY ≥97%

Synonyms

1,1-BIS (CHLOROMETHYL)ETHYLENE | Methallyl dichloride | 3-chloro-2 chloromethyl-prop-1-ene | 3-Chloro-2-chloro methyl propylene | 3-chloro-2-chloromethyl propene | Propene, 3-chloro-2-(chloromethyl)- | 3-chloro-2-(chloromethyl)prop-1-ene | 2-Chloromethyl-

Storage

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Descripción general

el 3-cloro-2-clorometil-1-propeno puede utilizarse en la síntesis de 2,11-bis(metilideno)espermina, un inhibidor de la espermina oxidasa y de cadenas laterales ramificadas de polímeros conjugados. También puede utilizarse en la fotocicloadición intermolecular [2+2] durante la síntesis total de (-)-grandisol.

Specifications

Sinónimos

1, 1-BIS (CHLOROMETHYL)ETHYLENE | Methallyl dichloride | 3-chloro-2 chloromethyl-prop-1-ene | 3-Chloro-2-chloro methyl propylene | 3-chloro-2-chloromethyl propene | Propene, 3-chloro-2-(chloromethyl)- | 3-chloro-2-(chloromethyl)prop-1-ene | 2-Chloromethyl-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, cargado con argón

Enviado en

Hielo húmedo

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504752715
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752715
• Sonrisas canónicas: C=C(CCl)CCl
• IUPAC Name: 3-chloro-2-(chloromethyl)prop-1-ene
• InChIKey: XJFZOSUFGSANIF-UHFFFAOYSA-N
• INCHI: 1S/C4H6Cl2/c1-4(2-5)3-6/h1-3H2
• Isómeros SMILES: C=C(CCl)CCl
• WGK Alemania: 3
• RTECS: UC7400000
• Peso molecular: 124.99
• Beilstein: 1560178
• Reaxy-Rn: 1560178
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1560178&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine atom.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water; Soluble in Ethanol,Methanol
• Sensibilidad: Heat & Air sensitive
• Índice de refracción: 1.4753
• Punto de inflamación (°F): 96.8 °F
• Punto de inflamación (°C): 36 °C
• Punto de ebullición (°C): 138°C
• Punto de fusión (°C): -14°C
• Peso molecular: 124.990 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 123.985 Da
• Monoisotopic Mass: 123.985 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 43.500
• 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. Zhongying Wu, Pin Cheng, Weiguang Zhao, Jianglin Fang, Tianchi Xu, Dongzhong Chen.  (2020)  Allyl sulfide-based visible light-induced dynamically reshaped liquid crystalline elastomer/SWCNT nanocomposites capable of multimode NIR photomechanical actuations.  NEW JOURNAL OF CHEMISTRY,  44  (26): (10902-10910).  [PMID:] [10.1039/D0NJ01314E]