5-Fluoro-2-methylbenzothiazole - ≥98%(GC) , CAS No.399-75-7

CAS: 399-75-7 Cat. No.: F156737 Peso molecular: 167.2 Beilstein Registry Number: 27(3/4)1086 Número EC: 183-021-9

GRADE & PURITY ≥98%(GC)

Synonyms

SY050872 | AS-61369 | 5-Fluoro-2-methylbenzothiazole, 97% | A824830 | AKOS015853223 | SCHEMBL1319670 | 2-Methyl-5-fluorobenzothiazole | 5-Fluoro-2-methyl-1,3-benzothiazole # | 5-Fluoro-2-methylbenzothiazole | 5-Fluoro-2-methyl-benzothiazole | F0316 | Benz

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

SY050872 | AS-61369 | 5-Fluoro-2-methylbenzothiazole, 97% | A824830 | AKOS015853223 | SCHEMBL1319670 | 2-Methyl-5-fluorobenzothiazole | 5-Fluoro-2-methyl-1, 3-benzothiazole # | 5-Fluoro-2-methylbenzothiazole | 5-Fluoro-2-methyl-benzothiazole | F0316 | Benz

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488190596
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190596
• Sonrisas canónicas: CC1=NC2=C(S1)C=CC(=C2)F
• IUPAC Name: 5-fluoro-2-methyl-1,3-benzothiazole
• InChIKey: LDBFGRGBYVULTJ-UHFFFAOYSA-N
• INCHI: 1S/C8H6FNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
• Isómeros SMILES: CC1=NC2=C(S1)C=CC(=C2)F
• WGK Alemania: 3
• Peso molecular: 167.2
• Beilstein: 27(3/4)1086
• Reaxy-Rn: 3917
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3917&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Benzenoids Aryl fluorides Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Benzenoid - Aryl halide - Aryl fluoride - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Chloroform (Slightly), Methanol (Slightly)
• Índice de refracción: 1.584 (lit.)
• Punto de inflamación (°F): 185 °F
• Punto de inflamación (°C): 85°C(lit.)
• Punto de ebullición (°C): 110-112 °C/7 mmHg (lit.)
• Peso molecular: 167.210 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 167.02 Da
• Monoisotopic Mass: 167.02 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 153.000
• 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