5-Fluoro-2-methylphenylhydrazine hydrochloride - ≥97% , CAS No.325-50-8

CAS: 325-50-8 Cat. No.: F122789 Molecular Weight: 176.62 Beilstein Registry Number: 3696216 EC Number: 679-109-6

GRADE & PURITY ≥97%

Synonyms

A5823 | EN300-298859 | (5-Fluoro-2-methyl-phenyl)-hydrazine; hydrochloride | 5-Fluoro-2-methylphenylhydrazine | 1-(5-fluoro-2-methylphenyl)hydrazine hydrochloride | SCHEMBL837448 | 5-Fluoro-2-methylphenylhydrazine HCl | 3-Fluoro-6-(methyl)phenylhydrazine

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

A5823 | EN300-298859 | (5-Fluoro-2-methyl-phenyl)-hydrazine; hydrochloride | 5-Fluoro-2-methylphenylhydrazine | 1-(5-fluoro-2-methylphenyl)hydrazine hydrochloride | SCHEMBL837448 | 5-Fluoro-2-methylphenylhydrazine HCl | 3-Fluoro-6-(methyl)phenylhydrazine

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504768581
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768581
• Canonical Smiles: CC1=C(C=C(C=C1)F)NN.Cl
• IUPAC Name: (5-fluoro-2-methylphenyl)hydrazine;hydrochloride
• InChIKey: JJGFAXYGLYUHIN-UHFFFAOYSA-N
• INCHI: 1S/C7H9FN2.ClH/c1-5-2-3-6(8)4-7(5)10-9;/h2-4,10H,9H2,1H3;1H
• Isomeric SMILES: CC1=C(C=C(C=C1)F)NN.Cl
• Molecular Weight: 176.62
• Beilstein: 3696216
• Reaxy-Rn: 3696216
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3696216&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylhydrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylhydrazines
• Alternative Parents: Toluenes Fluorobenzenes Aryl fluorides Organopnictogen compounds Organonitrogen compounds Organofluorides Organic zwitterions Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylhydrazine - Fluorobenzene - Halobenzene - Toluene - Aryl halide - Aryl fluoride - Organic salt - Organic zwitterion - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic chloride salt - Hydrocarbon derivative - Organopnictogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylhydrazines. These are compounds containing a phenylhydrazide moiety, which consists of a hydrazide substituent attached to a phenyl 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

Chemical and Physical Properties

• Melt Point(°C): 197°C
• Molecular Weight: 176.620 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 176.052 Da
• Monoisotopic Mass: 176.052 Da
• Topological Polar Surface Area: 38.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 108.000
• 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: 2

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