1,2,4,5-tetradeuterio-3-fluoro-6-nitro-benzene - ≥97% , CAS No.1219802-01-3

CAS: 1219802-01-3 Cat. No.: T627492 Molecular Weight: 145.12

GRADE & PURITY ≥97%

Synonyms

4-fluoronitrobenzene-d4 | 1219802-01-3 | 1,2,4,5-Tetradeuterio-3-fluoro-6-nitrobenzene | NSC 10281-d4 | 1,2,4,5-tetradeuterio-3-fluoro-6-nitro-benzene | 1-Fluoro-4-nitrobenzene D4 | SCHEMBL13915479 | HY-Y1630S | D96769

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

4-fluoronitrobenzene-d4 | 1219802-01-3 | 1, 2, 4, 5-Tetradeuterio-3-fluoro-6-nitrobenzene | NSC 10281-d4 | 1, 2, 4, 5-tetradeuterio-3-fluoro-6-nitro-benzene | 1-Fluoro-4-nitrobenzene D4 | SCHEMBL13915479 | HY-Y1630S | D96769

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1[N+](=O)[O-])F
• IUPAC Name: 1,2,4,5-tetradeuterio-3-fluoro-6-nitrobenzene
• InChIKey: WFQDTOYDVUWQMS-RHQRLBAQSA-N
• INCHI: 1S/C6H4FNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H/i1D,2D,3D,4D
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[N+](=O)[O-])[2H])[2H])F)[2H]
• Molecular Weight: 145.12
• Reaxy-Rn: 606923
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606923&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Fluorobenzenes Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organofluorides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 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 - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing 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