2,5-Dichlorobenzothiazole - ≥98% , CAS No.2941-48-2

CAS: 2941-48-2 Cat. No.: B192575 Formula: C₇H₃Cl₂NS Molecular Weight: 204.08 EC Number: 819-845-9

GRADE & PURITY ≥98%

Synonyms

2,5-dichloro-1,3-benzothiazole | A819892 | BENZOTHIAZOLE, 2,5-DICHLORO- | AKOS015919843 | FT-0647620 | Benzothiazole,2,5-dichloro-(7ci,8ci,9ci) | SCHEMBL780242 | 2,5-DICHLOROBENZO[D]THIAZOLE | SY030929 | J-507316 | 2,5-DICHLOROBENZOTHIAZOLE | 2,5-dichloro

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

2,5-dichloro-1,3-benzothiazole | A819892 | BENZOTHIAZOLE, 2,5-DICHLORO- | AKOS015919843 | FT-0647620 | Benzothiazole,2,5-dichloro-(7ci,8ci,9ci) | SCHEMBL780242 | 2,5-DICHLOROBENZO[D]THIAZOLE | SY030929 | J-507316 | 2,5-DICHLOROBENZOTHIAZOLE | 2,5-dichloro

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504767377
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767377
• Canonical Smiles: C1=CC2=C(C=C1Cl)N=C(S2)Cl
• IUPAC Name: 2,5-dichloro-1,3-benzothiazole
• InChIKey: LHUHAARPMJISMM-UHFFFAOYSA-N
• INCHI: 1S/C7H3Cl2NS/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H
• Isomeric SMILES: C1=CC2=C(C=C1Cl)N=C(S2)Cl
• Molecular Weight: 204.08
• Reaxy-Rn: 128229
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=128229&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• 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

Chemical and Physical Properties

• Molecular Weight: 204.080 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 202.936 Da
• Monoisotopic Mass: 202.936 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 155.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

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 2941-48-2, the molecular formula is C7H3Cl2NS, and the molecular weight is 204.08 g/mol. InChIKey LHUHAARPMJISMM-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.