2-Chloro-6-methoxybenzothiazole - ≥96%(GC) , CAS No.2605-14-3

CAS: 2605-14-3 Cat. No.: C140134 Fórmula: C₈H₆ClNOS Peso molecular: 199.66 Beilstein Registry Number: 27(5)8,242 Número EC: 626-293-0

GRADE & PURITY ≥96%(GC)

Synonyms

BCP26479 | F1910-0014 | 2-chloro-6-methoxy benzothiazole | cid_176155 | 2-Chloro-6-methoxybenzothiazole | 2-Chloro-6-methoxy-benzothiazole | 2-chloro-6-methoxybenzo-thiazole | MFCD00671510 | BP-10080 | SCHEMBL144993 | SY036869 | AM20040043 | IFLab1_006362

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

BCP26479 | F1910-0014 | 2-chloro-6-methoxy benzothiazole | cid_176155 | 2-Chloro-6-methoxybenzothiazole | 2-Chloro-6-methoxy-benzothiazole | 2-chloro-6-methoxybenzo-thiazole | MFCD00671510 | BP-10080 | SCHEMBL144993 | SY036869 | AM20040043 | IFLab1_006362

Especificaciones y pureza

≥96%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥96%(GC)

Nombres e identificadores

• Pubchem Sid: 488189198
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189198
• Sonrisas canónicas: COC1=CC2=C(C=C1)N=C(S2)Cl
• IUPAC Name: 2-chloro-6-methoxy-1,3-benzothiazole
• InChIKey: FVUFTABOJFRHSU-UHFFFAOYSA-N
• INCHI: 1S/C8H6ClNOS/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h2-4H,1H3
• Isómeros SMILES: COC1=CC2=C(C=C1)N=C(S2)Cl
• WGK Alemania: 3
• Peso molecular: 199.66
• Beilstein: 27(5)8,242
• Reaxy-Rn: 131203
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=131203&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: Anisoles Alkyl aryl ethers Aryl chlorides Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Anisole - Alkyl aryl ether - Aryl chloride - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Ether - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen 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

Propiedades químicas y físicas

• Punto de inflamación (°F): >230 °F
• Punto de inflamación (°C): >110 °C
• Punto de ebullición (°C): 133°C/7mmHg
• Punto de fusión (°C): 52-56°C
• Peso molecular: 199.660 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 198.986 Da
• Monoisotopic Mass: 198.986 Da
• Topological Polar Surface Area: 50.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 169.000
• 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

Preguntas frecuentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥96% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 2605-14-3, the molecular formula is C8H6ClNOS, and the molecular weight is 199.66 g/mol. InChIKey FVUFTABOJFRHSU-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.