Dansyl Fluoride - ≥98%(HPLC) , CAS No.34523-28-9

CAS: 34523-28-9 Cat. No.: D131214 Molecular Weight: 253.293 Beilstein Registry Number: 2127631 EC Number: 252-071-4

GRADE & PURITY ≥98%(HPLC)

Synonyms

5-Dimethylaminonaphthalene-1-sulfonyl Fluoride | DTXSID9067853 | T70802 | 5-Dimethylamino-1-naphthalenesulphohyl fluoride | 5-(dimethylamino)naphthalene-1-sulfonyl fluoride | 1-Naphthalenesulfonyl fluoride, 5-(dimethylamino)- | D-0260 | 5-(Dimethylamino)n

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Amine-Reactive Fluorescent Probe

Specifications

Synonyms

5-Dimethylaminonaphthalene-1-sulfonyl Fluoride | DTXSID9067853 | T70802 | 5-Dimethylamino-1-naphthalenesulphohyl fluoride | 5-(dimethylamino)naphthalene-1-sulfonyl fluoride | 1-Naphthalenesulfonyl fluoride, 5-(dimethylamino)- | D-0260 | 5-(Dimethylamino)n

Specifications & Purity

≥98%(HPLC)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)F
• IUPAC Name: 5-(dimethylamino)naphthalene-1-sulfonyl fluoride
• InChIKey: JMHHECQPPFEVMU-UHFFFAOYSA-N
• INCHI: 1S/C12H12FNO2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3
• Isomeric SMILES: CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)F
• WGK Germany: 3
• Molecular Weight: 253.293
• Beilstein: 2127631
• Reaxy-Rn: 2127631
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2127631&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-naphthalene sulfonic acids and derivatives
• Alternative Parents: Dialkylarylamines Sulfonyls Sulfonyl fluorides Organosulfonic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-naphthalene sulfonic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl fluoride - Sulfonyl halide - Sulfonyl - Tertiary amine - Organic nitrogen compound - Amine - Organosulfur compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused 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

• Melt Point(°C): 52 °C
• Molecular Weight: 253.290 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 253.057 Da
• Monoisotopic Mass: 253.057 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 363.000
• 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. Xu-mei Wang, Zong-cai Tu, Yun-hua Ye, Guang-xian Liu, Yue-ming Hu, Hui Wang.  (2022)  Isolation and allergenicity evaluation of glycated α-lactalbumin digestive products and identification of allergenic peptides.  FOOD CHEMISTRY,      [PMID:35567971] [10.1016/j.foodchem.2022.133185]