4-methoxybenzene-1-sulfonohydrazide

• ChemBase ID: 18842
• Molecular Formular: C7H10N2O3S
• Molecular Mass: 202.2309
• Monoisotopic Mass: 202.04121319
• SMILES: S(=O)(=O)(NN)c1ccc(cc1)OC
• Canonical SMILES: NNS(=O)(=O)c1ccc(cc1)OC
• InChI: InChI=1S/C7H10N2O3S/c1-12-6-2-4-7(5-3-6)13(10,11)9-8/h2-5,9H,8H2,1H3
• InChIKey: UIWFWZLAICURGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxybenzene-1-sulfonohydrazide
• IUPAC Traditional name: 4-methoxybenzenesulfonohydrazide
• Synonyms: 4-Methoxybenzenesulfonyl hydrazide; 4-Methoxybenzenesulfonyl hydrazide; 4-甲氧苯磺酰肼

Database IDs

• CAS Number: 1950-68-1
• EC Number: 217-769-5
• MDL Number: MFCD00014751
• PubChem SID: 160982149; 24865340
• PubChem CID: 74766

CALCULATED PROPERTIES

• Acid pKa: 10.295082
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.12512411
• LogD (pH = 7.4): 0.12902808
• Log P: 0.12512963
• Molar Refractivity: 49.1632 cm^3
• Polarizability: 19.602608 Å^3
• Polar Surface Area: 81.42 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 109°C(dec); 111-114 °C(lit.)

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Linear Formula: CH3OC6H4SO2NHNH2