2-Bromothiazole-5-carboxaldehyde - ≥95% , CAS No.464192-28-7

CAS: 464192-28-7 Cat. No.: B479104 Summenformel: C₄H₂BrNOS Molekulargewicht: 192.03 EG-Nummer: 670-319-3

GRADE & PURITY ≥95%

Synonyms

DTXSID20378314 | FT-0644704 | STL248354 | 2-Bromo-5-fomylthiazole | SY031622 | 2-bromo-5-formylthiazole, AldrichCPR | 2-Bromo-5-formylthiazole | EN300-118229 | PS-3303 | 2-bromothiazole-5-carbaldehyde;2-Bromo-5-formylthiazole | 2-Bromo-1,3-thiazole-5-carb

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

DTXSID20378314 | FT-0644704 | STL248354 | 2-Bromo-5-fomylthiazole | SY031622 | 2-bromo-5-formylthiazole, AldrichCPR | 2-Bromo-5-formylthiazole | EN300-118229 | PS-3303 | 2-bromothiazole-5-carbaldehyde;2-Bromo-5-formylthiazole | 2-Bromo-1,3-thiazole-5-carb

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

528757172

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528757172

Kanonisches Lächeln

C1=C(SC(=N1)Br)C=O

IUPAC Name

2-bromo-1,3-thiazole-5-carbaldehyde

InChIKey

DJUWIZUEHXRECB-UHFFFAOYSA-N

INCHI

1S/C4H2BrNOS/c5-4-6-1-3(2-7)8-4/h1-2H

Isomere SMILES

C1=C(SC(=N1)Br)C=O

WGK Deutschland

3

Molekulargewicht

192.03

Reaxy-Rn

11211563

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11211563&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,5-disubstituted thiazoles
• Alternative Parents: Aryl-aldehydes Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,5-disubstituted 1,3-thiazole - Aryl-aldehyde - Aryl bromide - Aryl halide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Aldehyde - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 2,5-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2 and 5 only.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air & Moisture & Light & Heat sensitive
• Schmelzpunkt (°C): 108-113℃
• Molekulargewicht: 192.040 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 190.904 Da
• Monoisotopic Mass: 190.904 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 100.000
• 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