4-Hydrazino-7-nitrobenzofurazan - ≥98% , CAS No.90421-78-6

CAS: 90421-78-6 Cat. No.: N113201 Molecular Weight: 195.14 EC Number: 684-885-4

GRADE & PURITY ≥98%

Synonyms

90421-78-6|4-Hydrazino-7-nitrobenzofurazan|4-hydrazino-7-nitrobenzofurazane|(4-nitro-2,1,3-benzoxadiazol-7-yl)hydrazine|4-Hydrazino-7-nitro-2,1,3-benzoxadiazole|4-HYDRAZINYL-7-NITROBENZOFURAZAN|4-hydrazinyl-7-nitrobenzo[c][1,2,5]oxadiazole|SCHEMBL593192|D

Storage

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

90421-78-6 | 4-Hydrazino-7-nitrobenzofurazan | 4-hydrazino-7-nitrobenzofurazane | (4-nitro-2, 1, 3-benzoxadiazol-7-yl)hydrazine | 4-Hydrazino-7-nitro-2, 1, 3-benzoxadiazole | 4-HYDRAZINYL-7-NITROBENZOFURAZAN | 4-hydrazinyl-7-nitrobenzo[c][1, 2, 5]oxadiazole | SCHEMBL593192 | D

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light, Argon charged, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])NN
• IUPAC Name: (4-nitro-2,1,3-benzoxadiazol-7-yl)hydrazine
• InChIKey: DMZATVKONWVLBE-UHFFFAOYSA-N
• INCHI: 1S/C6H5N5O3/c7-8-3-1-2-4(11(12)13)6-5(3)9-14-10-6/h1-2,8H,7H2
• Isomeric SMILES: C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])NN
• Molecular Weight: 195.14
• Reaxy-Rn: 8141943
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8141943&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzoxadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzoxadiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoxadiazoles
• Alternative Parents: Phenylhydrazines Nitroaromatic compounds Heteroaromatic compounds Furazans Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Hydrazines and derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoxadiazole - Nitroaromatic compound - Phenylhydrazine - Benzenoid - Azole - Furazan - Oxadiazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Oxacycle - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic zwitterion - Organic oxygen compound - Organopnictogen compound - Hydrazine derivative - Organic oxide - Organic salt - 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

Chemical and Physical Properties

• Sensitivity: Light & Moisture sensitive.
• Molecular Weight: 195.140 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 195.039 Da
• Monoisotopic Mass: 195.039 Da
• Topological Polar Surface Area: 123.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 232.000
• 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