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

CAS: 5198-79-8 Cat. No.: C170759 Formula: C₄H₂ClNOS Peso molecolare: 147.58 Numero 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

Sinonimi

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

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 528756851
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528756851
• Sorrisi canonici: 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
• Isomeri SMILES: C1=C(N=C(S1)Cl)C=O
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Peso molecolare: 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