(5-bromo-2-fluorophenyl)hydrazine hydrochloride

• ChemBase ID: 99457
• Molecular Formular: C6H7BrClFN2
• Molecular Mass: 241.4885832
• Monoisotopic Mass: 239.94651613
• SMILES: Fc1c(cc(cc1)Br)NN.Cl
• Canonical SMILES: NNc1cc(Br)ccc1F.Cl
• InChI: InChI=1S/C6H6BrFN2.ClH/c7-4-1-2-5(8)6(3-4)10-9;/h1-3,10H,9H2;1H
• InChIKey: SDCZMAWLMHZGMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-bromo-2-fluorophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (5-bromo-2-fluorophenyl)hydrazine hydrochloride
• Synonyms: 5-Bromo-2-fluorophenylhydrazine hydrochloride; (5-BROMO-2-FLUORO-PHENYL)-HYDRAZINE HYDROCHLORIDE

Database IDs

• CAS Number: 214916-08-2
• MDL Number: MFCD03094411
• PubChem SID: 162085722
• PubChem CID: 2773393

CALCULATED PROPERTIES

• Acid pKa: 15.99663
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.1952617
• LogD (pH = 7.4): 2.275222
• Log P: 2.2763429
• Molar Refractivity: 43.6039 cm^3
• Polarizability: 15.548269 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%