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

CAS: 106-96-7 Cat. No.: P106961 分子式: C₃H₃Br 分子量: 118.96 Beilstein Registry Number: 605309 EC番号: 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

同義語

3-Bromo-1-propyne

仕様と純度

≥98%, contains 0.3 % MgO as stabilizer

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice,FedEx DG Service

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

508814530

カノニカル・スマイル

C#CCBr

IUPAC Name

3-bromoprop-1-yne

InChIKey

YORCIIVHUBAYBQ-UHFFFAOYSA-N

INCHI

1S/C3H3Br/c1-2-3-4/h1H,3H2

異性体SMILES

C#CCBr

WGKドイツ

2

RTECS

UK4375000

UN番号

2345

包装グループ

II

分子量

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
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Miscible with ethanol, ether, benzene, carbon tetrachloride and chloroform. Immiscible with water.
• 感度: air ＆heat ＆light sensitive
• 屈折率: 1.4922
• 引火点（°C）: 10℃
• 沸点（°C）: 88-90°C
• 融点（°C）: -61 °C
• 分子量: 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