N,N-dimethylformamide dimethyl sulfate

• ChemBase ID: 143458
• Molecular Formular: C5H13NO5S
• Molecular Mass: 199.22542
• Monoisotopic Mass: 199.05144352
• SMILES: CN(C)C=O.COS(=O)(=O)OC
• Canonical SMILES: COS(=O)(=O)OC.O=CN(C)C
• InChI: InChI=1S/C3H7NO.C2H6O4S/c1-4(2)3-5;1-5-7(3,4)6-2/h3H,1-2H3;1-2H3
• InChIKey: UJKUJXVZLUTEAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylformamide dimethyl sulfate
• IUPAC Traditional name: dimethylformamide dimethyl sulfate
• Synonyms: DMF-Dimethyl sulfate; Methoxymethylene-N,N-dimethyliminium methyl sulfate; N,N-Dimethylformamide dimethyl sulfate adduct; DMF-硫酸二甲酯; 甲氧基亚甲基-N,N-二甲基亚胺硫酸甲酯; N,N-二甲基甲酰胺硫酸二甲酯加合物

Database IDs

• CAS Number: 89712-45-8
• MDL Number: MFCD16621484
• PubChem SID: 162237677
• PubChem CID: 11127270

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.08563058
• LogD (pH = 7.4): -0.08563058
• Log P: -0.08563058
• Molar Refractivity: 22.7354 cm^3
• Polarizability: 10.217228 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 188.6 °F; 87 °C
• Density: 1.349 g/mL at 25 °C
• Refractive Index: n20/D 1.459

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 45-23/24/25-37/38-41-43-68
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H315-H318-H331-H334-H335-H350
• GHS Precautionary statements: P201-P261-P280-P301 + P310-P305 + P351 + P338-P311
• RID/ADR: UN 2810 6.1/PG 3

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C5H13NO5S

DETAILS

Sigma Aldrich - 721778

Packaging
1, 5 g in glass bottle