(4-methanesulfonylphenyl)hydrazine hydrochloride

• ChemBase ID: 10158
• Molecular Formular: C7H11ClN2O2S
• Molecular Mass: 222.69244
• Monoisotopic Mass: 222.02297628
• SMILES: S(=O)(=O)(c1ccc(cc1)NN)C.Cl
• Canonical SMILES: NNc1ccc(cc1)S(=O)(=O)C.Cl
• InChI: InChI=1S/C7H10N2O2S.ClH/c1-12(10,11)7-4-2-6(9-8)3-5-7;/h2-5,9H,8H2,1H3;1H
• InChIKey: QVCMFSJTNVQJFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methanesulfonylphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (4-methanesulfonylphenyl)hydrazine hydrochloride
• Synonyms: 4-(Methylsulphonyl)phenylhydrazine hydrochloride; 4-Hydrazino-1-(methylsulphonyl)benzene hydrochloride; 4-Methylsulfonylphenylhydrazine hydrochloride; (4-(Methylsulfonyl)phenyl)hydrazine hydrochloride

Database IDs

• CAS Number: 877-66-7; 17852-67-4
• MDL Number: MFCD00216494
• PubChem SID: 160973465
• PubChem CID: 2735181

CALCULATED PROPERTIES

• Acid pKa: 18.372124
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.14005873
• LogD (pH = 7.4): 0.20431304
• Log P: 0.20519696
• Molar Refractivity: 49.7683 cm^3
• Polarizability: 18.888123 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 202°C(dec); 202(dec.)°C

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%