disodium N,4-dimethyl-N'-oxobenzene-1-sulfonohydrazide sulfate

• ChemBase ID: 135778
• Molecular Formular: C8H10N2Na2O7S2
• Molecular Mass: 356.28374
• Monoisotopic Mass: 355.97248123
• SMILES: Cc1ccc(cc1)S(=O)(=O)N(C)N=O.[O-]S(=O)(=O)[O-].[Na+].[Na+]
• Canonical SMILES: [O-]S(=O)(=O)[O-].O=NN(S(=O)(=O)c1ccc(cc1)C)C.[Na+].[Na+]
• InChI: InChI=1S/C8H10N2O3S.2Na.H2O4S/c1-7-3-5-8(6-4-7)14(12,13)10(2)9-11;;;1-5(2,3)4/h3-6H,1-2H3;;;(H2,1,2,3,4)/q;2*+1;/p-2
• InChIKey: QCKUXDQKDJXWCU-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium N,4-dimethyl-N'-oxobenzene-1-sulfonohydrazide sulfate
• IUPAC Traditional name: disodium N,4-dimethyl-N'-oxobenzenesulfonohydrazide sulfate
• Synonyms: Diazald® sodium sulfate mixture; Diazald® 硫酸钠混合物

Database IDs

• CAS Number: 80-11-5
• MDL Number: MFCD15146310
• PubChem SID: 162230050
• PubChem CID: 51346576

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9265324
• LogD (pH = 7.4): 1.9265324
• Log P: 1.9265324
• Molar Refractivity: 53.5109 cm^3
• Polarizability: 20.332233 Å^3
• Polar Surface Area: 66.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38-43
• Safety Statements: 26-36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H317-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Concentration: 20 wt. % in sodium sulfate (mixture)
• Empirical Formula (Hill Notation): C8H10N2O3S · Na2O4S

DETAILS

Sigma Aldrich - 640530

Legal Information
Diazald is a registered trademark of Sigma-Aldrich Co. LLC