[(4-fluorophenyl)methyl]hydrazine hydrochloride

• ChemBase ID: 100704
• Molecular Formular: C7H10ClFN2
• Molecular Mass: 176.6191032
• Monoisotopic Mass: 176.05165423
• SMILES: N(Cc1ccc(cc1)F)N.Cl
• Canonical SMILES: NNCc1ccc(cc1)F.Cl
• InChI: InChI=1S/C7H9FN2.ClH/c8-7-3-1-6(2-4-7)5-10-9;/h1-4,10H,5,9H2;1H
• InChIKey: CQWGDVFENPNFJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-fluorophenyl)methyl]hydrazine hydrochloride
• IUPAC Traditional name: [(4-fluorophenyl)methyl]hydrazine hydrochloride
• Synonyms: (4-Fluorobenzyl)hydrazine hydrochloride; (4-Fluorobenzyl)hydrazine hydrochloride; [(4-fluorophenyl)methyl]hydrazine hydrochloride

Database IDs

• CAS Number: 1059626-05-9; 51859-98-4
• MDL Number: MFCD08458859
• PubChem SID: 162086939
• PubChem CID: 25266746

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.85880196
• LogD (pH = 7.4): 1.0539447
• Log P: 1.0570607
• Molar Refractivity: 49.7247 cm^3
• Polarizability: 14.6723385 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 0.847

Safety Information

• Storage Warning: Corrosive/Keep Cold

Product Information

• Purity: 95%; 95+%
• Empirical Formula (Hill Notation): C7H10ClFN2

DETAILS

Sigma Aldrich - CBR00828

Other Notes
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Legal Information
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