2-Chloro-4-methylbenzothiazole - ≥97% , CAS No.3622-32-0

CAS: 3622-32-0 Cat. No.: C192994 Formula: C₈H₆ClNS Peso molecolare: 183.66 Numero EC: 967-770-6

GRADE & PURITY ≥97%

Synonyms

SY038934 | AS-60338 | 2-Chloro-4-methylbenzothiazole | 2-Chloro-4-methyl-benzothiazole | 2-Chloro-4-methyl-benzothiozole | A823170 | EN300-236442 | F1910-0001 | F15042 | Benzothiazole, 2-chloro-4-methyl- | NYNLRPVNVRAELQ-UHFFFAOYSA-N | 2-chloro-4-methyl-1

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

SY038934 | AS-60338 | 2-Chloro-4-methylbenzothiazole | 2-Chloro-4-methyl-benzothiazole | 2-Chloro-4-methyl-benzothiozole | A823170 | EN300-236442 | F1910-0001 | F15042 | Benzothiazole, 2-chloro-4-methyl- | NYNLRPVNVRAELQ-UHFFFAOYSA-N | 2-chloro-4-methyl-1

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488192030
• Sorrisi canonici: CC1=C2C(=CC=C1)SC(=N2)Cl
• IUPAC Name: 2-chloro-4-methyl-1,3-benzothiazole
• InChIKey: NYNLRPVNVRAELQ-UHFFFAOYSA-N
• INCHI: 1S/C8H6ClNS/c1-5-3-2-4-6-7(5)10-8(9)11-6/h2-4H,1H3
• Isomeri SMILES: CC1=C2C(=CC=C1)SC(=N2)Cl
• Peso molecolare: 183.66
• Reaxy-Rn: 129351
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=129351&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 183.660 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 182.991 Da
• Monoisotopic Mass: 182.991 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

Domande frequenti

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 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 3622-32-0, the molecular formula is C8H6ClNS, and the molecular weight is 183.66 g/mol. InChIKey NYNLRPVNVRAELQ-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.