ABD-F - ≥98%(HPLC) , CAS No.91366-65-3

CAS: 91366-65-3 Cat. No.: A131562 Molecular Weight: 217.18 EC Number: 671-280-5

GRADE & PURITY ≥98%(HPLC)

Synonyms

4-(Aminosulphonyl)-7-fluoro-2,1,3-benzoxadiazole | 7-Fluorobenzofurazan-4-sulfonamide | DTXSID60238529 | MFCD00036687 | SCHEMBL571688 | 7-FLUOROBENZO(C)(1,2,5)OXADIAZOLE-4-SULFONAMIDE | 4-Benzofurazansulfonamide, 7-fluoro- | 8XK1FQ8G1K | 4-(aminosulfonyl)

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Highly reactive fluorogenic reagent for the labeling of thiols for HPLC. ABD-F is nonfluorescent until reacted with thiols and therefore can be used to quantitate thiols in solution, as well as thiols separated by HPLC or TLC.

Specifications

Synonyms

4-(Aminosulphonyl)-7-fluoro-2, 1, 3-benzoxadiazole | 7-Fluorobenzofurazan-4-sulfonamide | DTXSID60238529 | MFCD00036687 | SCHEMBL571688 | 7-FLUOROBENZO(C)(1, 2, 5)OXADIAZOLE-4-SULFONAMIDE | 4-Benzofurazansulfonamide, 7-fluoro- | 8XK1FQ8G1K | 4-(aminosulfonyl)

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Highly reactive, sensitive fluorogenic reagent for thiol labelling. Selectively labels protein cysteine residues without side chain modification or N-terminal blockage. It has a benzofurazan moiety that produces a highly fluorescent compound through the r

Storage

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.

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. 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: 488187664
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187664
• Canonical Smiles: C1=C(C2=NON=C2C(=C1)S(=O)(=O)N)F
• IUPAC Name: 7-fluoro-2,1,3-benzoxadiazole-4-sulfonamide
• InChIKey: XROXHZMRDABMHS-UHFFFAOYSA-N
• INCHI: 1S/C6H4FN3O3S/c7-3-1-2-4(14(8,11)12)6-5(3)9-13-10-6/h1-2H,(H2,8,11,12)
• Isomeric SMILES: C1=C(C2=NON=C2C(=C1)S(=O)(=O)N)F
• Molecular Weight: 217.18
• Reaxy-Rn: 5035147
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5035147&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: Organosulfonamides Benzenoids Aryl fluorides Heteroaromatic compounds Furazans Aminosulfonyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoxadiazole - Aryl fluoride - Aryl halide - 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 - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organofluoride - 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: Hygroscopic
• Melt Point(°C): 146 °C
• Molecular Weight: 217.180 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 216.996 Da
• Monoisotopic Mass: 216.996 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 317.000
• 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