(4-bromophenyl)hydrazine

• ChemBase ID: 73575
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: N(c1ccc(cc1)Br)N
• Canonical SMILES: NNc1ccc(cc1)Br
• InChI: InChI=1S/C6H7BrN2/c7-5-1-3-6(9-8)4-2-5/h1-4,9H,8H2
• InChIKey: NRESDXFFSNBDGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromophenyl)hydrazine
• IUPAC Traditional name: hydrazine, (4-bromophenyl)-
• Synonyms: 1-Bromo-4-hydrazinobenzene; 4-Bromophenylhydrazine 95+%

Database IDs

• CAS Number: 589-21-9
• MDL Number: MFCD01935685
• PubChem SID: 162038494
• PubChem CID: 12158

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9244157
• LogD (pH = 7.4): 2.1302688
• Log P: 2.133641
• Molar Refractivity: 43.3875 cm^3
• Polarizability: 15.693236 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 102-104°C

Safety Information

• Storage Warning: Irritant