5-Bromo-2-(tert-butyldimethylsiloxy)pyrimidine - ≥97% , CAS No.121519-00-4

CAS: 121519-00-4 Cat. No.: B166542 Peso molecular: 289.24 Número EC: 623-245-0

GRADE & PURITY ≥97%

Synonyms

AS-76782 | 5-Bromo-2-(tert-butyldimethylsiloxy)pyrimidine | MFCD01318957 | 5-Bromo-2-(tert-butyldimethylsiloxy)pyrimidine, 97% | FT-0655436 | WEA51900 | AKOS015892508 | Pyrimidine, 5-bromo-2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]- | DTXSID40370779 | 5-Br

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

AS-76782 | 5-Bromo-2-(tert-butyldimethylsiloxy)pyrimidine | MFCD01318957 | 5-Bromo-2-(tert-butyldimethylsiloxy)pyrimidine, 97% | FT-0655436 | WEA51900 | AKOS015892508 | Pyrimidine, 5-bromo-2-[[(1, 1-dimethylethyl)dimethylsilyl]oxy]- | DTXSID40370779 | 5-Br

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488192724
• Sonrisas canónicas: CC(C)(C)[Si](C)(C)OC1=NC=C(C=N1)Br
• IUPAC Name: (5-bromopyrimidin-2-yl)oxy-tert-butyl-dimethylsilane
• InChIKey: GCALLZMACFTOPD-UHFFFAOYSA-N
• INCHI: 1S/C10H17BrN2OSi/c1-10(2,3)15(4,5)14-9-12-6-8(11)7-13-9/h6-7H,1-5H3
• Isómeros SMILES: CC(C)(C)[Si](C)(C)OC1=NC=C(C=N1)Br
• WGK Alemania: 3
• Peso molecular: 289.24
• Reaxy-Rn: 5934570
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5934570&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Halopyrimidines
• Alternative Parents: Aryl bromides Trialkylheterosilanes Heteroaromatic compounds Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Halopyrimidine - Aryl bromide - Aryl halide - Trialkylheterosilane - Heteroaromatic compound - Organoheterosilane - Organic metalloid salt - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organosilicon compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

• Sensibilidad: Moisture sensitive
• Índice de refracción: 1.509
• Punto de inflamación (°F): >230 °F
• Punto de inflamación (°C): >110 °C
• Peso molecular: 289.240 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 288.029 Da
• Monoisotopic Mass: 288.029 Da
• Topological Polar Surface Area: 35.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 210.000
• 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

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