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

CAS: 2942-07-6 Cat. No.: N133779 Formule: C₇H₄N₂O₂S Poids moléculaire: 180.18 Numéro CE: 691-902-9

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥96%

Noms et identifiants

Pubchem Sid

504758554

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

Poids moléculaire

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
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 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

Foire aux questions

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.