(2-methanesulfonylphenyl)hydrazine hydrochloride

• ChemBase ID: 21956
• Molecular Formular: C7H11ClN2O2S
• Molecular Mass: 222.69244
• Monoisotopic Mass: 222.02297628
• SMILES: c1ccc(c(c1)NN)S(=O)(=O)C.Cl
• Canonical SMILES: NNc1ccccc1S(=O)(=O)C.Cl
• InChI: InChI=1S/C7H10N2O2S.ClH/c1-12(10,11)7-5-3-2-4-6(7)9-8;/h2-5,9H,8H2,1H3;1H
• InChIKey: DLYJMGLPKICRLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methanesulfonylphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (2-methanesulfonylphenyl)hydrazine hydrochloride
• Synonyms: N'-[2-(Methylsulfonyl)phenyl]hydrazine hydrochloride; 2-Hydrazinophenyl methyl sulphone hydrochloride; 2-(Methylsulphonyl)phenylhydrazine hydrochloride; (2-methanesulfonylphenyl)hydrazine hydrochloride

Database IDs

• MDL Number: MFCD08459596
• PubChem SID: 160985263
• PubChem CID: 22600947

CALCULATED PROPERTIES

• Acid pKa: 15.39111
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.18916231
• LogD (pH = 7.4): 0.20492949
• Log P: 0.20519696
• Molar Refractivity: 49.7683 cm^3
• Polarizability: 18.890642 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189-190°C
• Hydrophobicity(logP): 0.38

Safety Information

• Storage Warning: IRRITANT; Irritant/Keep Cold/Store under Argon
• TSCA Listed: false

Product Information

• Purity: 95%