2-Chloro-4-formylthiazole - ≥97% , CAS No.5198-79-8

CAS: 5198-79-8 Cat. No.: C170759 Fórmula: C₄H₂ClNOS Peso molecular: 147.58 Número EC: 809-967-0

GRADE & PURITY ≥97%

Synonyms

2-Chlorothiazole-4-carboxaldehyde | 2chloro-thiazole-4-carboxaldehyde | DTXSID90650250 | 2-Chloro-4-formylthiazole | 4-N-Piperidinophenylacetylene | EN300-1664831 | J-509174 | JGIIXKZUXXDKOO-UHFFFAOYSA-N | PS-6055 | SCHEMBL5213645 | Z1201625112 | FT-06854

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

2-Chlorothiazole-4-carboxaldehyde | 2chloro-thiazole-4-carboxaldehyde | DTXSID90650250 | 2-Chloro-4-formylthiazole | 4-N-Piperidinophenylacetylene | EN300-1664831 | J-509174 | JGIIXKZUXXDKOO-UHFFFAOYSA-N | PS-6055 | SCHEMBL5213645 | Z1201625112 | FT-06854

Especificaciones y pureza

≥97%

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

≥97%

Nombres e identificadores

Pubchem Sid

528756851

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528756851

Sonrisas canónicas

C1=C(N=C(S1)Cl)C=O

IUPAC Name

2-chloro-1,3-thiazole-4-carbaldehyde

InChIKey

JGIIXKZUXXDKOO-UHFFFAOYSA-N

INCHI

1S/C4H2ClNOS/c5-4-6-3(1-7)2-8-4/h1-2H

Isómeros SMILES

C1=C(N=C(S1)Cl)C=O

Peso molecular

147.58

Reaxy-Rn

1099695

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1099695&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,4-disubstituted thiazoles
• Alternative Parents: Aryl-aldehydes Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-disubstituted 1,3-thiazole - Aryl-aldehyde - Aryl chloride - Aryl halide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Aldehyde - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at the positions 2 and 3.
• 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
• Peso molecular: 147.580 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 146.955 Da
• Monoisotopic Mass: 146.955 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