2,4-Dinitro-5-fluoroaniline - ≥98% , CAS No.367-81-7

CAS: 367-81-7 Cat. No.: D122493 Summenformel: C₆H₄FN₃O₄ Molekulargewicht: 201.11 Beilstein Registry Number: 12(1)366 EG-Nummer: 206-700-4

GRADE & PURITY ≥98%

Synonyms

2,4-Dinitro-5-fluoroaniline | EINECS 206-700-4 | AS-45836 | NSC88336 | NSC-88336 | AM61937 | A19759 | InChI=1/C6H4FN3O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H,8H | (5-fluoro-2,4-dinitrophenyl)amine | SY075295 | 5-Fluoro-2,4-dinitroaniline | MFCD0000715

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

It is a useful reagent for labeling free amino groups in proteins before hydrolysis. It is reported to have several advantages over dinitrofluorobenzene.

Specifications

Synonyme

2,4-Dinitro-5-fluoroaniline | EINECS 206-700-4 | AS-45836 | NSC88336 | NSC-88336 | AM61937 | A19759 | InChI=1/C6H4FN3O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H,8H | (5-fluoro-2,4-dinitrophenyl)amine | SY075295 | 5-Fluoro-2,4-dinitroaniline | MFCD0000715

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508807720

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508807720

Kanonisches Lächeln

C1=C(C(=CC(=C1F)[N+](=O)[O-])[N+](=O)[O-])N

IUPAC Name

5-fluoro-2,4-dinitroaniline

InChIKey

RAGRTYREMCPEIV-UHFFFAOYSA-N

INCHI

1S/C6H4FN3O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H,8H2

Isomere SMILES

C1=C(C(=CC(=C1F)[N+](=O)[O-])[N+](=O)[O-])N

Molekulargewicht

201.11

Beilstein

12(1)366

Reaxy-Rn

2280981

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2280981&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dinitroanilines
• Alternative Parents: Nitrobenzenes Nitroaromatic compounds Fluorobenzenes Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organopnictogen compounds Organofluorides Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Dinitroaniline - Nitrobenzene - Nitroaromatic compound - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Organic zwitterion - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dinitroanilines. These are organic compounds containing an aniline moiety, which is substituted at 2 positions by a nitro group.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Schmelzpunkt (°C): 187 °C
• Molekulargewicht: 201.110 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 201.019 Da
• Monoisotopic Mass: 201.019 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 250.000
• 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