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

CAS: 3034-53-5 Cat. No.: B123649 Molecular Weight: 164.02 Beilstein Registry Number: 105724 EC Number: 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

Overview

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

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

Specifications & Purity

≥99%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504755062
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755062
• Canonical Smiles: 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
• Isomeric SMILES: C1=CSC(=N1)Br
• WGK Germany: 3
• Molecular Weight: 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
    • Class Aryl halides
      • Subclass Aryl bromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in Chloroform and Dichloromethane.
• Sensitivity: Heat & Air sensitive.
• Refractive Index: 1.5910 - 1.5950
• Flash Point(°F): 152.6 °F
• Flash Point(°C): 63°C
• Boil Point(°C): 171°C
• Molecular Weight: 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