Allyl chloride - analytical standard, ≥99.5%(GC) , CAS No.107-05-1

CAS: 107-05-1 Cat. No.: A103822 Peso molecular: 76.52 Beilstein Registry Number: 635704 Número EC: 203-457-6

GRADE & PURITY Analytical standard, ≥99.5%(GC)

Synonyms

3-Chloropropene-1 | Allylchlorid | 3-chloroprop-1-ene | ALLYL CHLORIDE | allylchloride | 3-Chloropropylene | 3-Chloro-1-propene | 1-Chloro-2-propene | 2-Propenyl chloride | 3-Chlorpropen | 3-Chloropropene | Chloroallylene | Chlorallylene | 3-Chloro-1-Prop

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Specifications

Sinónimos

3-Chloropropene-1 | Allylchlorid | 3-chloroprop-1-ene | ALLYL CHLORIDE | allylchloride | 3-Chloropropylene | 3-Chloro-1-propene | 1-Chloro-2-propene | 2-Propenyl chloride | 3-Chlorpropen | 3-Chloropropene | Chloroallylene | Chlorallylene | 3-Chloro-1-Prop

Especificaciones y pureza

analytical standard, ≥99.5%(GC)

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.

Grado

Analytical standard

Pureza

≥99.5%(GC)

Nombres e identificadores

• Sonrisas canónicas: C=CCCl
• IUPAC Name: 3-chloroprop-1-ene
• InChIKey: OSDWBNJEKMUWAV-UHFFFAOYSA-N
• INCHI: 1S/C3H5Cl/c1-2-3-4/h2H,1,3H2
• Isómeros SMILES: C=CCCl
• WGK Alemania: 2
• RTECS: UC7350000
• Número ONU: 1100
• Grupo de embalaje: I
• Peso molecular: 76.52
• Beilstein: 635704
• Reaxy-Rn: 635704
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635704&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)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Not soluble in water, but miscible with most organic solvents such as ethanol, ether, chloroform, and petroleum ether.
• Índice de refracción: 1.4154
• Punto de inflamación (°F): -25.6 °F
• Punto de inflamación (°C): -31℃
• Punto de ebullición (°C): 44.96°C
• Punto de fusión (°C): -134.5°C
• Peso molecular: 76.520 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 76.008 Da
• Monoisotopic Mass: 76.008 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 17.200
• 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

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