(4-Bromophenylethynyl)trimethylsilane - ≥98% , CAS No.16116-78-2

CAS: 16116-78-2 Cat. No.: B167681 Peso molecular: 253.21 Número EC: 835-531-4

GRADE & PURITY ≥98%

Synonyms

(4-Bromophenylethynyl)trimethylsilane | (4-bromo-phenylethynyl)-trimethyl-silane | AMY1241 | SY083775 | MFCD01863556 | RNMSGCJGNJYDNS-UHFFFAOYSA-N | BBL103201 | AB10391 | B6028 | J-009794 | STL557011 | DS-5170 | 2-(4-bromophenyl)ethynyl-trimethylsilane |

Storage

Room temperature

Shipped In

Normal

Descripción general

(4-Bromophenylethynyl)trimethylsilane can be synthesized by the palladium catalyzed reaction between 4-bromo-1-iodobenzene and trimethylsilylacetylene. It undergoes Buchwald-Hartwig coupling with para-substituted diphenylamines.
(4-Bromophenylethynyl)trimethylsilane may be used to synthesize: ? 1-bromo-4-ethynylbenzene ? 4-(4-bromophenyl)-3-butyn-2-one ? 4-ethynyl-4′-tert-butylbiphenyl ? 1,4-bis[2-(4-bromophenyl)ethynyl]-2,5-dihexylbenzene

Specifications

Sinónimos

(4-Bromophenylethynyl)trimethylsilane | (4-bromo-phenylethynyl)-trimethyl-silane | AMY1241 | SY083775 | MFCD01863556 | RNMSGCJGNJYDNS-UHFFFAOYSA-N | BBL103201 | AB10391 | B6028 | J-009794 | STL557011 | DS-5170 | 2-(4-bromophenyl)ethynyl-trimethylsilane |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C[Si](C)(C)C#CC1=CC=C(C=C1)Br
• IUPAC Name: 2-(4-bromophenyl)ethynyl-trimethylsilane
• InChIKey: RNMSGCJGNJYDNS-UHFFFAOYSA-N
• INCHI: 1S/C11H13BrSi/c1-13(2,3)9-8-10-4-6-11(12)7-5-10/h4-7H,1-3H3
• Isómeros SMILES: C[Si](C)(C)C#CC1=CC=C(C=C1)Br
• WGK Alemania: 3
• Peso molecular: 253.21
• Reaxy-Rn: 2830864
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2830864&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aryl bromides Trialkylsilanes Organic metalloid salts Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromobenzene - Aryl halide - Aryl bromide - Trialkylsilane - Organic metalloid salt - Hydrocarbon derivative - Organosilicon compound - Alkylsilane - Organobromide - Organic metalloid moeity - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
• 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

• Punto de fusión (°C): 62 °C
• Peso molecular: 253.210 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 251.997 Da
• Monoisotopic Mass: 251.997 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 219.000
• 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

XLogP3