Benzenesulfonyl hydrazide - ≥98% , CAS No.80-17-1

CAS: 80-17-1 Cat. No.: B107046 Molecular Weight: 172.2 Beilstein Registry Number: 640079 EC Number: 201-255-2

GRADE & PURITY ≥98%

Synonyms

UNII-AC8C87U2TA | AI3-52515 | Benzenesulfonic acid, hydrazide | SCHEMBL1109 | Celogen BSH | benzenesulfono hydrazide | BENZENESULFONYL HYDRAZIDE [MI] | Benzensulfonylhydrazine | BSH | Genitron BSH | BBL000063 | W-104245 | Benzensulfonyl hydrazine | Benzen

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonyms

UNII-AC8C87U2TA | AI3-52515 | Benzenesulfonic acid, hydrazide | SCHEMBL1109 | Celogen BSH | benzenesulfono hydrazide | BENZENESULFONYL HYDRAZIDE [MI] | Benzensulfonylhydrazine | BSH | Genitron BSH | BBL000063 | W-104245 | Benzensulfonyl hydrazine | Benzen

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

FedEx DG Service

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504754000
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754000
• Canonical Smiles: C1=CC=C(C=C1)S(=O)(=O)NN
• IUPAC Name: benzenesulfonohydrazide
• InChIKey: VJRITMATACIYAF-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2O2S/c7-8-11(9,10)6-4-2-1-3-5-6/h1-5,8H,7H2
• Isomeric SMILES: C1=CC=C(C=C1)S(=O)(=O)NN
• WGK Germany: 3
• RTECS: DB6888000
• UN Number: 3226
• Molecular Weight: 172.2
• Beilstein: 640079
• Reaxy-Rn: 640079
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=640079&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: Benzenesulfonyl compounds Sulfonohydrazides Hydrazinosulfonyl compounds Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Hydrazinosulfonyl compound - Sulfonohydrazide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur 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

• Solubility: Soluble in Methanol
• Sensitivity: light sensitive；Air sensitive
• Flash Point(°F): 110℃
• Flash Point(°C): 110℃
• Melt Point(°C): 100-104°C
• Molecular Weight: 172.210 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 172.031 Da
• Monoisotopic Mass: 172.031 Da
• Topological Polar Surface Area: 80.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 201.000
• 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

References

1. Hanrui Li, Ke Li, Qi Zeng, Yun Zeng, Dan Chen, Liaojun Pang, Xueli Chen, Yonghua Zhan.  (2019)  Novel vinyl-modified RGD conjugated silica nanoparticles based on photo click chemistry for in vivo prostate cancer targeted fluorescence imaging.  RSC Advances,  9  (44): (25318-25325).  [PMID:35530054] [10.1039/C9RA04513A]