4-Chlorobenzothiazole - ≥97% , CAS No.3048-45-1

CAS: 3048-45-1 Cat. No.: C183557 Summenformel: C₇H₄ClNS Molekulargewicht: 169.6 EG-Nummer: 160-618-2

GRADE & PURITY ≥97%

Synonyms

BENZOTHIAZOLE, 4-CHLORO- | 4-chlorobenzothiazole | AMY23103 | MFCD11040158 | 4-chloro-1,3-benzothiazole | IFEPGHPDQJOYGG-UHFFFAOYSA-N | SCHEMBL926998 | 4-CHLOROBENZO[D]THIAZOLE | FT-0646111 | FS-2801 | Z1198305220 | Benzothiazole, 4-chloro- (7CI,8CI,9CI)

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

BENZOTHIAZOLE, 4-CHLORO- | 4-chlorobenzothiazole | AMY23103 | MFCD11040158 | 4-chloro-1,3-benzothiazole | IFEPGHPDQJOYGG-UHFFFAOYSA-N | SCHEMBL926998 | 4-CHLOROBENZO[D]THIAZOLE | FT-0646111 | FS-2801 | Z1198305220 | Benzothiazole, 4-chloro- (7CI,8CI,9CI)

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488196840
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196840
• Kanonisches Lächeln: C1=CC2=C(C(=C1)Cl)N=CS2
• IUPAC Name: 4-chloro-1,3-benzothiazole
• InChIKey: IFEPGHPDQJOYGG-UHFFFAOYSA-N
• INCHI: 1S/C7H4ClNS/c8-5-2-1-3-6-7(5)9-4-10-6/h1-4H
• Isomere SMILES: C1=CC2=C(C(=C1)Cl)N=CS2
• Molekulargewicht: 169.6
• Reaxy-Rn: 1072611
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1072611&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Benzenoids Aryl chlorides Thiazoles Heteroaromatic compounds Azacyclic 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 - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 169.630 g/mol
• XLogP3: 3.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). 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 3048-45-1, the molecular formula is C7H4ClNS, and the molecular weight is 169.6 g/mol. InChIKey IFEPGHPDQJOYGG-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.