(4-chloro-2-fluorophenyl)hydrazine hydrochloride

• ChemBase ID: 15023
• Molecular Formular: C6H7Cl2FN2
• Molecular Mass: 197.0375832
• Monoisotopic Mass: 195.99703181
• SMILES: c1c(cc(c(c1)NN)F)Cl.Cl
• Canonical SMILES: NNc1ccc(cc1F)Cl.Cl
• InChI: InChI=1S/C6H6ClFN2.ClH/c7-4-1-2-6(10-9)5(8)3-4;/h1-3,10H,9H2;1H
• InChIKey: HPKBNVJFGMBBFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chloro-2-fluorophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (4-chloro-2-fluorophenyl)hydrazine hydrochloride
• Synonyms: 4-Chloro-2-fluorophenylhydrazine hydrochloride; (4-chloro-2-fluorophenyl)hydrazine hydrochloride

Database IDs

• CAS Number: 64172-78-7
• MDL Number: MFCD06245512
• PubChem SID: 160978330
• PubChem CID: 2782933

CALCULATED PROPERTIES

• Acid pKa: 16.269342
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0262692
• LogD (pH = 7.4): 2.110336
• Log P: 2.111635
• Molar Refractivity: 40.7859 cm^3
• Polarizability: 14.491026 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 234-235°C(dec); 234-235(dec.)°C

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%
• Salt Data: HCl