3-Chloro-2-methyl-1-propene - ≥97% , CAS No.563-47-3

CAS: 563-47-3 Cat. No.: C106528 Peso molecular: 90.55 Beilstein Registry Number: 878160 Número EC: 209-251-2

GRADE & PURITY ≥97%

Synonyms

MAC | 3-Chloro-2-methyl-propene | Chlorure de methallyle [French] | MFCD00000953 | (2'-methylallyl) chloride | Chlorue de methallyle [French] | HSDB 1149 | Q15632849 | 3-chloranyl-2-methyl-prop-1-ene | CAS-563-47-3 | Methyl allyl chloride [UN2554] [Flamm

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Descripción general

3-Chloro-2-methyl-1-propene is the reactant for the synthesis of cyclobutanone.

3-Chloro-2-methyl-1-propene was used to study ring opening polymerization of oxirane derivatives using organotin phosphate condensate. It was used to study cationic polymerization of 3-Chloro-2-methyl-1-propene using using AICI3 and A3IBr, as initiators

Specifications

Sinónimos

MAC | 3-Chloro-2-methyl-propene | Chlorure de methallyle [French] | MFCD00000953 | (2'-methylallyl) chloride | Chlorue de methallyle [French] | HSDB 1149 | Q15632849 | 3-chloranyl-2-methyl-prop-1-ene | CAS-563-47-3 | Methyl allyl chloride [UN2554] [Flamm

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice, FedEx DG Service

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

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(=C)CCl
• IUPAC Name: 3-chloro-2-methylprop-1-ene
• InChIKey: OHXAOPZTJOUYKM-UHFFFAOYSA-N
• INCHI: 1S/C4H7Cl/c1-4(2)3-5/h1,3H2,2H3
• Isómeros SMILES: CC(=C)CCl
• WGK Alemania: 2
• RTECS: UC8050000
• Número ONU: 2554
• Grupo de embalaje: II
• Peso molecular: 90.55
• Beilstein: 878160
• Reaxy-Rn: 878160
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878160&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: organochlorine compound

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)

Lymphoblastoid cell (5959 Activities)

Explore this target

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

HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

Discover Target: HSD17B10

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

Objetivos asociados (no humanos)

Aspergillus nidulans (364 Activities)

Explore this target

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

lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Not miscible in water.
• Sensibilidad: Heat sensitive
• Índice de refracción: 1.4262-1.4282
• Punto de inflamación (°F): 14 °F
• Punto de inflamación (°C): -18℃
• Punto de ebullición (°C): 71-72°C
• Punto de fusión (°C): -80°C
• Peso molecular: 90.550 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 90.0236 Da
• Monoisotopic Mass: 90.0236 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 38.900
• 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