4-Fluoro-7-nitrobenzofurazan - ≥98% , CAS No.29270-56-2

CAS: 29270-56-2 Cat. No.: N111779 Molecular Weight: 183.1 Beilstein Registry Number: 1077571 EC Number: 634-820-0

GRADE & PURITY ≥98%

Synonyms

NBD-F | AM85705 | FDLYAMZZIXQODN-UHFFFAOYSA-N | GS-3328 | s10237 | UNII-L5VS78SU5J | 4-fluoro-7-nitrobenz-2-oxa-1,3-diazole | PD100582 | 4-fluoro-4-nitro-1H-2,1,3-benzoxadiazole;4-Fluoro-7-nitrobenzofurazan | 4-fluoro-7-nitrobenzofurazane | NBD-F | EN300-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Useful for fluorescent labeling of amino acids and amines in HPLC

Specifications

Synonyms

NBD-F | AM85705 | FDLYAMZZIXQODN-UHFFFAOYSA-N | GS-3328 | s10237 | UNII-L5VS78SU5J | 4-fluoro-7-nitrobenz-2-oxa-1, 3-diazole | PD100582 | 4-fluoro-4-nitro-1H-2, 1, 3-benzoxadiazole;4-Fluoro-7-nitrobenzofurazan | 4-fluoro-7-nitrobenzofurazane | NBD-F | EN300-

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Pro-fluorescent reagent which forms a fluorescent product on reaction with primary or secondary amines. Similar to NBD chloride except that it is much more reactive toward amines.

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%

Names and Identifiers

• Pubchem Sid: 504756862
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756862
• Canonical Smiles: C1=C(C2=NON=C2C(=C1)F)[N+](=O)[O-]
• IUPAC Name: 4-fluoro-7-nitro-2,1,3-benzoxadiazole
• InChIKey: PGZIDERTDJHJFY-UHFFFAOYSA-N
• INCHI: 1S/C6H2FN3O3/c7-3-1-2-4(10(11)12)6-5(3)8-13-9-6/h1-2H
• Isomeric SMILES: C1=C(C2=NON=C2C(=C1)F)[N+](=O)[O-]
• WGK Germany: 3
• Molecular Weight: 183.1
• Beilstein: 1077571
• Reaxy-Rn: 1077571
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1077571&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: Nitroaromatic compounds Benzenoids Aryl fluorides Heteroaromatic compounds Furazans Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoxadiazole - Nitroaromatic compound - Aryl fluoride - Aryl halide - Benzenoid - Azole - Furazan - Oxadiazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - 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

• Solubility: It is soluble in DMSO, DMF, CH3OH, CH3CN and CHCl3.
• Sensitivity: heat sensitive &air sensitive
• Flash Point(°F): 113 °C
• Flash Point(°C): 113°C
• Melt Point(°C): 52-54°C
• Molecular Weight: 183.100 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 183.008 Da
• Monoisotopic Mass: 183.008 Da
• Topological Polar Surface Area: 84.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 222.000
• 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