NBD-H (=4-Hydrazino-7-nitro-2,1,3-benzoxadiazole Hydrazine) [for HPLC Labeling] - ≥98%(HPLC) , CAS No.131467-87-3

CAS: 131467-87-3 Cat. No.: N159210 Molecular Weight: 227.18 EC Number: 635-046-6

GRADE & PURITY ≥98%(HPLC)

Synonyms

4-Hydrazino-7-nitro-2,1,3-benzoxadiazole Hydrazine | 4-Hydrazino-7-nitrobenzofurazan Hydrazine

Storage

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

Shipped In

Wet ice

Specifications

Synonyms

4-Hydrazino-7-nitro-2, 1, 3-benzoxadiazole Hydrazine | 4-Hydrazino-7-nitrobenzofurazan Hydrazine

Specifications & Purity

≥98%(HPLC)

Storage

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

Shipped In

Wet ice

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

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504768344
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768344
• Canonical Smiles: C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])NN.NN
• IUPAC Name: hydrazine;(4-nitro-2,1,3-benzoxadiazol-7-yl)hydrazine
• InChIKey: BLIOAKMSUDUCKB-UHFFFAOYSA-N
• INCHI: 1S/C6H5N5O3.H4N2/c7-8-3-1-2-4(11(12)13)6-5(3)9-14-10-6;1-2/h1-2,8H,7H2;1-2H2
• Isomeric SMILES: C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])NN.NN
• Molecular Weight: 227.18
• Reaxy-Rn: 30429165
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30429165&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 Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organic zwitterions 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 - Azacycle - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organopnictogen compound - Hydrazine derivative - 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 Sensitive,Air Sensitive,Heat Sensitive
• Molecular Weight: 227.180 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 1
• Exact Mass: 227.077 Da
• Monoisotopic Mass: 227.077 Da
• Topological Polar Surface Area: 175.000 Ų
• Heavy Atom Count: 16
• 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: 2

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