N-Isopropylidene-N′-2-nitrobenzenesulfonyl hydrazine - ≥98% , CAS No.6655-27-2

CAS: 6655-27-2 Cat. No.: I102425 Molecular Weight: 257.27 Beilstein Registry Number: 11(3)116 EC Number: 678-577-9

GRADE & PURITY ≥98%

Synonyms

A835491 | I0777 | FT-0630172 | N-(isopropylideneamino)-2-nitro-benzenesulfonamide;2-NITRO-N'-(PROPAN-2-YLIDENE)BENZENESULFONOHYDRAZIDE | N-Isopropylidene-N'-2-nitrobenzenesulfonyl hydrazine | Benzenesulfonic acid, 2-nitro-, (1-methylethylidene)hydrazide |

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Application：

IPNBSH A Reagent for the Simple Reduction of Alcohols

Reactant for synthesis of:

(-)-Acylfulvene and (-)-irofulven for use as antitumor agents

Bicycloundecadienones and bicyclodecadienones via carbonylative cycloaddition

Monoalkyldiazenes for allylic reduction

Reacts with di-Me phosphonate

Specifications

Synonyms

A835491 | I0777 | FT-0630172 | N-(isopropylideneamino)-2-nitro-benzenesulfonamide;2-NITRO-N'-(PROPAN-2-YLIDENE)BENZENESULFONOHYDRAZIDE | N-Isopropylidene-N'-2-nitrobenzenesulfonyl hydrazine | Benzenesulfonic acid, 2-nitro-, (1-methylethylidene)hydrazide |

Specifications & Purity

≥98%

Storage

Protected from light, 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.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488197825
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197825
• Canonical Smiles: CC(=NNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C
• IUPAC Name: 2-nitro-N-(propan-2-ylideneamino)benzenesulfonamide
• InChIKey: SBNYNTYNEJTMQO-UHFFFAOYSA-N
• INCHI: 1S/C9H11N3O4S/c1-7(2)10-11-17(15,16)9-6-4-3-5-8(9)12(13)14/h3-6,11H,1-2H3
• Isomeric SMILES: CC(=NNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C
• WGK Germany: 3
• Molecular Weight: 257.27
• Beilstein: 11(3)116
• Reaxy-Rn: 2659215
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2659215&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Nitrobenzenes Benzenesulfonyl compounds Nitroaromatic compounds Sulfonohydrazides Hydrazinosulfonyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Hydrazinosulfonyl compound - Sulfonohydrazide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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: Moisture Sensitive,Heat Sensitive,Light sensitive
• Melt Point(°C): 131-135°C
• Molecular Weight: 257.269 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 257.047 Da
• Monoisotopic Mass: 257.047 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 403.000
• 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