Benzofuroxan - ≥98%(GC) , CAS No.480-96-6

CAS: 480-96-6 Cat. No.: B152907 Formule: C₆H₄N₂O₂ Poids moléculaire: 136.11 Beilstein Registry Number: 27(1)740 Numéro CE: 207-559-1

QUALITÉ & PURETÉ ≥98%(GC)

Synonyms

A827467 | 2,1,3-benzoxadiazol-1-ium-1-olate | AKOS000271068 | Benzofurazan oxide | STK383927 | EN300-213956 | Benzofurazan, 1-oxide | B1316 | Q-200690 | InChI=1/C6H4N2O2/c9-8-6-4-2-1-3-5(6)7-10-8/h1-4 | MFCD00005807 | 2,1,3-Benzoxadiazole, 1-oxide | Benzo

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

A827467 | 2,1,3-benzoxadiazol-1-ium-1-olate | AKOS000271068 | Benzofurazan oxide | STK383927 | EN300-213956 | Benzofurazan, 1-oxide | B1316 | Q-200690 | InChI=1/C6H4N2O2/c9-8-6-4-2-1-3-5(6)7-10-8/h1-4 | MFCD00005807 | 2,1,3-Benzoxadiazole, 1-oxide | Benzo

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488184082

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184082

Sourires canoniques

C1=CC2=NO[N+](=C2C=C1)[O-]

IUPAC Name

3-oxido-2,1,3-benzoxadiazol-3-ium

InChIKey

OKEAMBAZBICIFP-UHFFFAOYSA-N

INCHI

1S/C6H4N2O2/c9-8-6-4-2-1-3-5(6)7-10-8/h1-4H

Isomères SMILES

C1=CC2=NO[N+](=C2C=C1)[O-]

Poids moléculaire

136.11

Beilstein

27(1)740

Reaxy-Rn

125112

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=125112&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzoxadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzoxadiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoxadiazoles
• Alternative Parents: Furoxans Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoxadiazole - Benzenoid - Furoxan - Heteroaromatic compound - Oxadiazole - Furazan - Azole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoxadiazoles. These are organic compounds containing a benzene fused to an oxadiazole ring (a five-membered ring with two carbon atoms, one nitrogen atom, and one oxygen 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

Cibles associées (non humaines)

Triticum aestivum (1582 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in Methanol
• Point de fusion (°C): 69 °C
• Poids moléculaire: 136.110 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 136.027 Da
• Monoisotopic Mass: 136.027 Da
• Topological Polar Surface Area: 51.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 131.000
• 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, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 480-96-6, the molecular formula is C6H4N2O2, and the molecular weight is 136.11 g/mol. InChIKey OKEAMBAZBICIFP-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.