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DBD-H [=4-(N,N-Dimethylaminosulfonyl)-7-hydrazino-2,1,3-benzoxadiazole] [for HPLC Labeling] - >98.0%(HPLC), high purity , CAS No.131467-86-2
Basic Description
Synonyms
J-006008 | 7-Hydrazinyl-N,N-dimethylbenzo[c][1,2,5]oxadiazole-4-sulfonamide | 4-(N,N-Dimethylsulfamoyl)-7-hydrazino-benzofurazan | 2,1,3-Benzoxadiazole-4-sulfonamide, 7-hydrazinyl-N,N-dimethyl- | 4-(N,N-Dimethylsulfamoyl)-7-hydrazino-benzofurazan, for flu
Specifications & Purity
≥98%(HPLC)
Storage Temp
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxadiazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxadiazoles
Alternative Parents
Phenylhydrazines Organosulfonamides Heteroaromatic compounds Furazans Aminosulfonyl compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Hydrazines and derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxadiazole - Phenylhydrazine - Organosulfonic acid amide - Benzenoid - Azole - Furazan - Oxadiazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Azacycle - Organic oxygen compound - Hydrazine derivative - Organopnictogen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Organic nitrogen compound - Hydrocarbon 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.
Names and Identifiers
IUPAC Name
7-hydrazinyl-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
INCHI
InChI=1S/C8H11N5O3S/c1-13(2)17(14,15)6-4-3-5(10-9)7-8(6)12-16-11-7/h3-4,10H,9H2,1-2H3
InChIKey
VPDDJYGQJSTHTA-UHFFFAOYSA-N
Smiles
CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)NN
Isomeric SMILES
CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)NN
Molecular Weight
257.27
Reaxy-Rn
30826644
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30826644&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
air and heat sensitive
Molecular Weight
257.269 g/mol
XLogP3
-0.400
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
3
Exact Mass
257.058 Da
Monoisotopic Mass
257.058 Da
Topological Polar Surface Area
123.000 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
368.000
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
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H2112091