2-Chloro-4-fluorobenzothiazole - ≥95% , CAS No.182344-56-5

CAS: 182344-56-5 Cat. No.: C182260 Formule: C₇H₃ClFNS Poids moléculaire: 187.6

GRADE & PURITY ≥95%

Synonyms

AKOS005208049 | 2-chloro-4-fluorobenzo[d]thiazole | 2-chloro-4-fluoro-1,3-benzothiazole | EN300-237625 | SY037974 | VCSYBEOXGIHVTR-UHFFFAOYSA-N | DTXSID40365948 | 2-Chloro-4-fluorobenzothiazole | 2-Chloro-4-fluoro-benzothiazole | Benzothiazole, 2-chloro-4

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

AKOS005208049 | 2-chloro-4-fluorobenzo[d]thiazole | 2-chloro-4-fluoro-1,3-benzothiazole | EN300-237625 | SY037974 | VCSYBEOXGIHVTR-UHFFFAOYSA-N | DTXSID40365948 | 2-Chloro-4-fluorobenzothiazole | 2-Chloro-4-fluoro-benzothiazole | Benzothiazole, 2-chloro-4

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

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

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 504760666
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760666
• Sourires canoniques: C1=CC(=C2C(=C1)SC(=N2)Cl)F
• IUPAC Name: 2-chloro-4-fluoro-1,3-benzothiazole
• InChIKey: VCSYBEOXGIHVTR-UHFFFAOYSA-N
• INCHI: 1S/C7H3ClFNS/c8-7-10-6-4(9)2-1-3-5(6)11-7/h1-3H
• Isomères SMILES: C1=CC(=C2C(=C1)SC(=N2)Cl)F
• Poids moléculaire: 187.6
• Reaxy-Rn: 13767199
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13767199&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Benzenoids Aryl fluorides Aryl chlorides Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Aryl chloride - Aryl fluoride - Aryl halide - Benzenoid - Heteroaromatic compound - Azole - Thiazole - Azacycle - Organochloride - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organofluoride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
• 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

• Poids moléculaire: 187.620 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 186.966 Da
• Monoisotopic Mass: 186.966 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 157.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 182344-56-5, the molecular formula is C7H3ClFNS, and the molecular weight is 187.6 g/mol. InChIKey VCSYBEOXGIHVTR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.