Propargyl bromide - ≥98%, contains 0.3 % MgO as stabilizer , CAS No.106-96-7

CAS: 106-96-7 Cat. No.: P106961 Peso molecular: 118.96 Beilstein Registry Number: 605309 Número EC: 203-447-1

GRADE & PURITY ≥98%, contains 0.3 % MgO as stabilizer

Synonyms

3-Bromo-1-propyne

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Specifications

Sinónimos

3-Bromo-1-propyne

Especificaciones y pureza

≥98%, contains 0.3 % MgO as stabilizer

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

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

≥98%

Nombres e identificadores

• Sonrisas canónicas: C#CCBr
• IUPAC Name: 3-bromoprop-1-yne
• InChIKey: YORCIIVHUBAYBQ-UHFFFAOYSA-N
• INCHI: 1S/C3H3Br/c1-2-3-4/h1H,3H2
• Isómeros SMILES: C#CCBr
• WGK Alemania: 2
• RTECS: UK4375000
• Número ONU: 2345
• Grupo de embalaje: II
• Peso molecular: 118.96
• Beilstein: 605309
• Reaxy-Rn: 605309
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605309&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Acetylides

• Kingdom: Organic compounds
• Superclass: Acetylides
• Clase: Not available
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetylides
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetylide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acetylides. These are compounds arising by replacement of one or both hydrogen atoms of acetylene (ethyne) by a metal or other cationic group. E.g. NaC#CH monosodium acetylide. By extension, analogous compounds derived from terminal acetylenes, RC#CH. The class is limited here to derivatives of acetylene where the hydrogen atom is replaced with an element with similar or lower electronegativity that carbon.
• 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

• Solubilidad: Miscible with ethanol, ether, benzene, carbon tetrachloride and chloroform. Immiscible with water.
• Sensibilidad: air ＆heat ＆light sensitive
• Índice de refracción: 1.4922
• Punto de inflamación (°C): 10℃
• Punto de ebullición (°C): 88-90°C
• Punto de fusión (°C): -61 °C
• Peso molecular: 118.960 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 117.942 Da
• Monoisotopic Mass: 117.942 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 38.500
• 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

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