5-Nitrobenzotiazol - ≥96% , CAS No.2942-07-6

CAS: 2942-07-6 Cat. No.: N133779 Fórmula: C₇H₄N₂O₂S Peso molecular: 180.18 Número CE: 691-902-9

GRADE & PURITY ≥96%

Synonyms

5-nitrobenzo[d]thiazole | 5-Nitro-1,3-benzothiazole # | MFCD00085891 | DS-0412 | 5-Nitrobenzothiazole | 5-Nitro-benzothiazole | EN300-42152 | 5-Nitro-1,3-benzothiazole | A819905 | AKOS006220663 | benzothiazole, 5-nitro- | AM20050426 | NSC507466 | NSC-5074

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

5-nitrobenzo[d]thiazole | 5-Nitro-1,3-benzothiazole # | MFCD00085891 | DS-0412 | 5-Nitrobenzothiazole | 5-Nitro-benzothiazole | EN300-42152 | 5-Nitro-1,3-benzothiazole | A819905 | AKOS006220663 | benzothiazole, 5-nitro- | AM20050426 | NSC507466 | NSC-5074

Especificações e pureza

≥96%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥96%

Nomes e identificadores

Pubchem Sid

504758554

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758554

Sorrisos canónicos

C1=CC2=C(C=C1[N+](=O)[O-])N=CS2

IUPAC Name

5-nitro-1,3-benzothiazole

InChIKey

AEUQLELVLDMMKB-UHFFFAOYSA-N

INCHI

1S/C7H4N2O2S/c10-9(11)5-1-2-7-6(3-5)8-4-12-7/h1-4H

SMILES isoméricas

C1=CC2=C(C=C1[N+](=O)[O-])N=CS2

Peso molecular

180.18

Reaxy-Rn

147112

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=147112&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: Nitroaromatic compounds Benzenoids Thiazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Nitroaromatic compound - Benzenoid - Azole - Thiazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 180.190 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 179.999 Da
• Monoisotopic Mass: 179.999 Da
• Topological Polar Surface Area: 87.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 194.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥96% 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 2942-07-6, the molecular formula is C7H4N2O2S, and the molecular weight is 180.18 g/mol. InChIKey AEUQLELVLDMMKB-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.