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

CAS: 106-96-7 Cat. No.: P106961 Formule: C₃H₃Br Poids moléculaire: 118.96 Beilstein Registry Number: 605309 Numéro CE: 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

Synonymes

3-Bromo-1-propyne

Spécifications et pureté

≥98%, contains 0.3 % MgO as stabilizer

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice,FedEx DG Service

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

508814530

Sourires canoniques

C#CCBr

IUPAC Name

3-bromoprop-1-yne

InChIKey

YORCIIVHUBAYBQ-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

C#CCBr

WGK Allemagne

2

RTECS

UK4375000

Numéro ONU

2345

Groupe d'emballage

II

Poids moléculaire

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
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Miscible with ethanol, ether, benzene, carbon tetrachloride and chloroform. Immiscible with water.
• Sensibilité: air ＆heat ＆light sensitive
• Indice de réfraction: 1.4922
• Point d'éclair (°C): 10℃
• Point d'ébullition (°C): 88-90°C
• Point de fusion (°C): -61 °C
• Poids moléculaire: 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