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

CAS: 5198-79-8 Cat. No.: C170759 Formule: C₄H₂ClNOS Poids moléculaire: 147.58 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

528756851

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

Poids moléculaire

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
    • Classe Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive
• Poids moléculaire: 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