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

• ChemBase ID: 108066
• Molecular Formular: C8H10N2O3S
• Molecular Mass: 214.2416
• Monoisotopic Mass: 214.04121319
• SMILES: CN(N=O)S(=O)(=O)c1ccc(C)cc1
• Canonical SMILES: O=NN(S(=O)(=O)c1ccc(cc1)C)C
• InChI: InChI=1S/C8H10N2O3S/c1-7-3-5-8(6-4-7)14(12,13)10(2)9-11/h3-6H,1-2H3
• InChIKey: FFKZOUIEAHOBHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,4-dimethyl-N'-oxobenzene-1-sulfonohydrazide
• IUPAC Traditional name: N,4-dimethyl-N'-oxobenzenesulfonohydrazide
• Synonyms: N,4-Dimethyl-N-nitrosobenzenesulfonamide; Diazale; N-Methyl-N-nitroso-4-tosylamide; N-Methyl-N-nitrosotoluene-4-sulfonamide; NSC 313; p-Tolylsulfonylmethylnitrosamide; Diazald; N-Methyl-N-nitroso-p-toluenesulfonamide; N-Nitroso-N-methyl-p-toluenesulfonamide; p-Tolylsulfomethylnitrosamide; Diazomethane precursor; Diazald®; N-METHYL-N-NITROSO-p-TOLUENESULFONAMIDE; N,4-dimethyl-N-nitrosobenzenesulfonamide; Diazald®; N-Methyl-N-(p-tolylsulfonyl)nitrosamide; N-Nitroso-p-toluenesulfomethylamide; N-Methyl-N-nitroso-p-toluenesulfonamide; N-亚硝基-N-甲基-对甲苯磺酰胺; N-亚硝基-对甲苯磺基甲酰胺; N-甲基-N-(对甲苯磺酰)亚硝酰胺; N-甲基-N-亚硝基-对甲苯磺酰胺; 对甲苯磺酰甲基亚硝胺; N-亚硝基-N-甲基对甲苯磺酰胺; 对甲苯基磺甲基亚硝酰胺; 重氮甲烷前体; N-甲基-N-亚硝基对甲苯磺酰胺

Database IDs

• CAS Number: 80-11-5
• EC Number: 201-252-6
• MDL Number: MFCD00002050
• Beilstein Number: 2214345
• PubChem SID: 162095067; 24893716
• PubChem CID: 6628

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

Physical Property

• Melting Point: ~58 °C; 61°C; 61-62 °C(lit.)

Safety Information

• RTECS: XT5950000
• European Hazard Symbols: Explosive (E); Irritant (Xi)
• UN Number: 3234
• German water hazard class: 2
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 2-36/37/38-43
• Safety Statements: 15-26-35-36/37
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H242-H315-H317-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 3234 4.1/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (HPLC); 99%
• Grade: purum
• Linear Formula: CH3C6H4SO2N(CH3)NO
• Empirical Formula (Hill Notation): C8H10N2O3S

DETAILS

Sigma Aldrich - M2256

Application
用于生成重氮甲烷的试剂。
法律信息
Diazald 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - D28000

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
Nitrosylating agent for transition metal complexes,1 amines,2 and carbanions,3 as well as a precursor to diazomethane.4
Diazald: The Preferred Method For Diazomethane Generation
Packaging
25 g in poly bottle
Legal Information
Diazald is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 73970

Other Notes
Preparation of diazomethane1,2
Legal Information
Diazald is a registered trademark of Sigma-Aldrich Co. LLC

Toronto Research Chemicals - D416915

Diazomethane precursor.

REFERENCES

• Takizawa, et al.: J. Pharm. Soc. Jpn., 70, 490 (1950)