2-(4-Fluorophenyl)acetohydrazide - ≥98% , CAS No.34547-28-9

CAS: 34547-28-9 Cat. No.: F169737 Molecular Weight: 168.17 EC Number: 817-999-1

GRADE & PURITY ≥98%

Synonyms

SCHEMBL754150 | STL185680 | 2-(4-fluorophenyl)acetic hydrazide | AKOS000263763 | DTXSID30396201 | Benzeneacetic acid, 4-fluoro-, hydrazide | 4-FLUOROPHENYLACETIC HYDRAZIDE | PFBNINAURUGQRR-UHFFFAOYSA-N | FT-0694405 | SY083811 | 2-(4-fluorophenyl)acetohydr

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

SCHEMBL754150 | STL185680 | 2-(4-fluorophenyl)acetic hydrazide | AKOS000263763 | DTXSID30396201 | Benzeneacetic acid, 4-fluoro-, hydrazide | 4-FLUOROPHENYLACETIC HYDRAZIDE | PFBNINAURUGQRR-UHFFFAOYSA-N | FT-0694405 | SY083811 | 2-(4-fluorophenyl)acetohydr

Specifications & Purity

≥98%

Storage

Protected from light, 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.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1CC(=O)NN)F
• IUPAC Name: 2-(4-fluorophenyl)acetohydrazide
• InChIKey: PFBNINAURUGQRR-UHFFFAOYSA-N
• INCHI: 1S/C8H9FN2O/c9-7-3-1-6(2-4-7)5-8(12)11-10/h1-4H,5,10H2,(H,11,12)
• Isomeric SMILES: C1=CC(=CC=C1CC(=O)NN)F
• Molecular Weight: 168.17
• Reaxy-Rn: 2576231
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2576231&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylacetamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylacetamides
• Alternative Parents: Fluorobenzenes Aryl fluorides Carboxylic acid hydrazides Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylacetamide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Carboxylic acid hydrazide - Carboxylic acid derivative - Organofluoride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
• 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

• Molecular Weight: 168.170 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 168.07 Da
• Monoisotopic Mass: 168.07 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 155.000
• 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