2-Chloro-5-nitrobenzo[d]thiazole - ≥97% , CAS No.3622-38-6

CAS: 3622-38-6 Cat. No.: C588881 Peso molecular: 214.63 Número EC: 188-621-4

GRADE & PURITY ≥97%

Synonyms

VU0618504-1 | 2-Chloro-5-nitrobenzothiazole | 2-chloro-5-nitro-benzothiazole | 3-(5-METHYL-1,2,4-OXADIAZOL-3-YL)BENZENESULFONYLCHLORIDE | Benzothiazole, 2-chloro-5-nitro- | F3395-0187 | AKOS000320627 | FT-0646149 | AC-7691 | 2-chloro-5-nitro-1,3-benzothia

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

VU0618504-1 | 2-Chloro-5-nitrobenzothiazole | 2-chloro-5-nitro-benzothiazole | 3-(5-METHYL-1, 2, 4-OXADIAZOL-3-YL)BENZENESULFONYLCHLORIDE | Benzothiazole, 2-chloro-5-nitro- | F3395-0187 | AKOS000320627 | FT-0646149 | AC-7691 | 2-chloro-5-nitro-1, 3-benzothia

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC2=C(C=C1[N+](=O)[O-])N=C(S2)Cl
• IUPAC Name: 2-chloro-5-nitro-1,3-benzothiazole
• InChIKey: BSHJRTMGKFPQGZ-UHFFFAOYSA-N
• INCHI: 1S/C7H3ClN2O2S/c8-7-9-5-3-4(10(11)12)1-2-6(5)13-7/h1-3H
• Isómeros SMILES: C1=CC2=C(C=C1[N+](=O)[O-])N=C(S2)Cl
• Peso molecular: 214.63
• Reaxy-Rn: 1076082
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1076082&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: Nitroaromatic compounds Benzenoids Aryl chlorides Thiazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Nitroaromatic compound - Aryl chloride - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Thiazole - C-nitro compound - Organic nitro compound - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organochloride - Organic nitrogen compound - Organohalogen compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic cation - 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

• Peso molecular: 214.630 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 213.96 Da
• Monoisotopic Mass: 213.96 Da
• Topological Polar Surface Area: 87.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 223.000
• 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