(2-bromo-4-methanesulfonylphenyl)hydrazine

• ChemBase ID: 12276
• Molecular Formular: C7H9BrN2O2S
• Molecular Mass: 265.12756
• Monoisotopic Mass: 263.95681054
• SMILES: N(N)c1c(cc(cc1)S(=O)(=O)C)Br
• Canonical SMILES: NNc1ccc(cc1Br)S(=O)(=O)C
• InChI: InChI=1S/C7H9BrN2O2S/c1-13(11,12)5-2-3-7(10-9)6(8)4-5/h2-4,10H,9H2,1H3
• InChIKey: CCGWLSRTZZBNTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-bromo-4-methanesulfonylphenyl)hydrazine
• IUPAC Traditional name: (2-bromo-4-methanesulfonylphenyl)hydrazine
• Synonyms: 2-Bromo-4-(methylsulphonyl)-1-hydrazinobenzene; 2-Bromo-4-(methylsulphonyl)phenylhydrazine; [2-Bromo-4-(methylsulfonyl)phenyl]hydrazine

Database IDs

• CAS Number: 849035-73-0
• MDL Number: MFCD04037940
• PubChem SID: 160975583
• PubChem CID: 2761068

CALCULATED PROPERTIES

• Acid pKa: 16.176138
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.9318817
• LogD (pH = 7.4): 0.97332877
• Log P: 0.9739496
• Molar Refractivity: 57.3911 cm^3
• Polarizability: 21.819584 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 150-151°C

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false