2-Chlorobenzothiazole - ≥98%(GC) , CAS No.615-20-3

CAS: 615-20-3 Cat. No.: C135221 Peso molecular: 169.63 Beilstein Registry Number: 27,44 Número EC: 210-415-0

GRADE & PURITY ≥98%(GC)

Synonyms

2-chlorobenzthiazole | AKOS000121331 | 2-Chlorobenzothiazole, 99% | Tox21_303729 | EN300-23023 | WLN: T56 BN DSJ CG | W-105143 | InChI=1/C7H4ClNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4 | 2-CHLOROBENZO[D]THIAZOLE | 2-chloro-benzo[d]thiazole | AM20040862 | MFCD0000

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-chlorobenzthiazole | AKOS000121331 | 2-Chlorobenzothiazole, 99% | Tox21_303729 | EN300-23023 | WLN: T56 BN DSJ CG | W-105143 | InChI=1/C7H4ClNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4 | 2-CHLOROBENZO[D]THIAZOLE | 2-chloro-benzo[d]thiazole | AM20040862 | MFCD0000

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488181502
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181502
• Sonrisas canónicas: C1=CC=C2C(=C1)N=C(S2)Cl
• IUPAC Name: 2-chloro-1,3-benzothiazole
• InChIKey: BSQLQMLFTHJVKS-UHFFFAOYSA-N
• INCHI: 1S/C7H4ClNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H
• Isómeros SMILES: C1=CC=C2C(=C1)N=C(S2)Cl
• WGK Alemania: 3
• RTECS: DL3150000
• Peso molecular: 169.63
• Beilstein: 27,44
• Reaxy-Rn: 116316
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=116316&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 chlorides Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Benzenoid - Aryl halide - Aryl chloride - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - 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

• Índice de refracción: 1.64
• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): 110 °C
• Punto de ebullición (°C): 248 °C
• Punto de fusión (°C): 21 °C
• Peso molecular: 169.630 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 168.975 Da
• Monoisotopic Mass: 168.975 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 131.000
• 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