2-Bromothiazole - ≥99% , CAS No.3034-53-5

CAS: 3034-53-5 Cat. No.: B123649 Peso molecular: 164.02 Beilstein Registry Number: 105724 Número EC: 221-229-4

GRADE & PURITY ≥99%

Synonyms

EN300-21325 | 2-Bromothiazole | 2-bromo-thiazole | F2173-0032 | 2-Bromo-thiazole;2-bromo-1,3-thiazole;2-Thiazolyl Bromide;Thiazole, 2-bromo- | 84MI6OYN4Z | DTXSID9062805 | BBL027513 | PS-4269 | STK803405 | 2-Bromo-1,3-thiazole | Thiazole, bromo- | 2-Bromo

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Usually used to N-arylate 5- and 7-azaindoles.And also used as starting reagent in the synthesis of 2-cyanothiazole via cpper-catalyzed cyanation,2,4,5-trisubstituted thiazoles,novel electron-deficient fused pyrrolo[3,2-d:4,5-d′]bisthiazole,3-(2′-thiazoyl)indoles.

Specifications

Sinónimos

EN300-21325 | 2-Bromothiazole | 2-bromo-thiazole | F2173-0032 | 2-Bromo-thiazole;2-bromo-1, 3-thiazole;2-Thiazolyl Bromide;Thiazole, 2-bromo- | 84MI6OYN4Z | DTXSID9062805 | BBL027513 | PS-4269 | STK803405 | 2-Bromo-1, 3-thiazole | Thiazole, bromo- | 2-Bromo

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504755062
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755062
• Sonrisas canónicas: C1=CSC(=N1)Br
• IUPAC Name: 2-bromo-1,3-thiazole
• InChIKey: RXNZFHIEDZEUQM-UHFFFAOYSA-N
• INCHI: 1S/C3H2BrNS/c4-3-5-1-2-6-3/h1-2H
• Isómeros SMILES: C1=CSC(=N1)Br
• WGK Alemania: 3
• Peso molecular: 164.02
• Beilstein: 105724
• Reaxy-Rn: 105724
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105724&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Aryl halides
      • Subclass Aryl bromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Aryl halides
• Subclass: Aryl bromides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl bromides
• Alternative Parents: Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl bromide - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl bromides. These are organic compounds containing the acyl bromide functional group.
• 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: Soluble in Chloroform and Dichloromethane.
• Sensibilidad: Heat & Air sensitive.
• Índice de refracción: 1.5910 - 1.5950
• Punto de inflamación (°F): 152.6 °F
• Punto de inflamación (°C): 63°C
• Punto de ebullición (°C): 171°C
• Peso molecular: 164.030 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 162.909 Da
• Monoisotopic Mass: 162.909 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 50.100
• 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