(4-bromo-3-methylphenyl)hydrazine hydrochloride

• ChemBase ID: 264025
• Molecular Formular: C7H10BrClN2
• Molecular Mass: 237.5247
• Monoisotopic Mass: 235.97158801
• SMILES: c1(c(ccc(c1)NN)Br)C.Cl
• Canonical SMILES: NNc1ccc(c(c1)C)Br.Cl
• InChI: InChI=1S/C7H9BrN2.ClH/c1-5-4-6(10-9)2-3-7(5)8;/h2-4,10H,9H2,1H3;1H
• InChIKey: XBGQEKKSKADUKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromo-3-methylphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (4-bromo-3-methylphenyl)hydrazine hydrochloride
• Synonyms: (4-bromo-3-methylphenyl)hydrazine hydrochloride

Database IDs

• MDL Number: MFCD04966817
• PubChem SID: 164319935
• PubChem CID: 16495351

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.4193888
• LogD (pH = 7.4): 2.6433089
• Log P: 2.6470625
• Molar Refractivity: 48.4287 cm^3
• Polarizability: 17.437042 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189 - 191°C
• Hydrophobicity(logP): 2.929

Product Information

• Purity: 95%