1H-Imidazole-1-sulfonyl azide, hydrochloride - ≥95% , CAS No.952234-36-5

CAS: 952234-36-5 Cat. No.: H305026 Molecular Weight: 209.61 EC Number: 694-428-0

GRADE & PURITY ≥95%

Synonyms

A854679 | 1H-Imidazole-1-sulfonyl Azide HCl | AKOS016015616 | BS-13556 | Imidazole-1-sulfonyl azide hydrochloride | 1H-Imidazole-1-sulfonyl azide hydrochloride | F2147-2502 | EN300-112206 | 1H-Imidazole-1-sulphonyl azide hydrochloride | XYURSCOGYWBRDR-UHF

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

A854679 | 1H-Imidazole-1-sulfonyl Azide HCl | AKOS016015616 | BS-13556 | Imidazole-1-sulfonyl azide hydrochloride | 1H-Imidazole-1-sulfonyl azide hydrochloride | F2147-2502 | EN300-112206 | 1H-Imidazole-1-sulphonyl azide hydrochloride | XYURSCOGYWBRDR-UHF

Specifications & Purity

≥95%

Storage

Store at -20°C, Argon charged, Desiccated

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504769430
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769430
• Canonical Smiles: C1=CN(C=N1)S(=O)(=O)N=[N+]=[N-].Cl
• IUPAC Name: N-diazoimidazole-1-sulfonamide;hydrochloride
• InChIKey: XYURSCOGYWBRDR-UHFFFAOYSA-N
• INCHI: 1S/C3H3N5O2S.ClH/c4-6-7-11(9,10)8-2-1-5-3-8;/h1-3H;1H
• Isomeric SMILES: C1=CN(C=N1)S(=O)(=O)N=[N+]=[N-].Cl
• Molecular Weight: 209.61
• Reaxy-Rn: 11182232
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11182232&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Sulfonyls
      • Subclass Sulfonyl azides

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Sulfonyls
• Subclass: Sulfonyl azides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfonyl azides
• Alternative Parents: N-substituted imidazoles Heteroaromatic compounds Organic azides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Sulfonyl azide - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Organic azide - Organoheterocyclic compound - Azacycle - Hydrochloride - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfonyl azides. These are organosulfur compounds with the general formula RS(=O)(=O)N=[N+][N-] (R = organyl).
• 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: Methanol (Slightly), Water (Slightly)
• Sensitivity: Moisture sensitive
• Melt Point(°C): 100-102 °C
• Molecular Weight: 209.620 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 208.977 Da
• Monoisotopic Mass: 208.977 Da
• Topological Polar Surface Area: 74.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 273.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

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