chloro(3,5-dimethoxyphenyl)magnesium

• ChemBase ID: 142271
• Molecular Formular: C8H9ClMgO2
• Molecular Mass: 196.91386
• Monoisotopic Mass: 196.01414891
• SMILES: COc1cc(cc(c1)[Mg]Cl)OC
• Canonical SMILES: COc1cc(OC)cc(c1)[Mg]Cl
• InChI: InChI=1S/C8H9O2.ClH.Mg/c1-9-7-4-3-5-8(6-7)10-2;;/h4-6H,1-2H3;1H;/q;;+1/p-1
• InChIKey: SLRNRDSSVOUEBP-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(3,5-dimethoxyphenyl)magnesium
• IUPAC Traditional name: chloro(3,5-dimethoxyphenyl)magnesium
• Synonyms: 3,5-Dimethoxyphenylmagnesium chloride; 3,5-二甲氧基苯基氯化镁

Database IDs

• CAS Number: 89981-17-9
• MDL Number: MFCD06411301
• PubChem SID: 162236501; 24882874
• PubChem CID: 13108686

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.9813
• LogD (pH = 7.4): 0.9813
• Log P: 0.9813
• Molar Refractivity: 44.537 cm^3
• Polarizability: 19.24829 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -15 °C; 5 °F
• Density: 1.022 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 2056
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-19-36/37
• Safety Statements: 16-26
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• RID/ADR: UN 2056 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Concentration: 1.0 M in THF
• Empirical Formula (Hill Notation): C8H9ClMgO2

DETAILS

Sigma Aldrich - 637629

Packaging
50 mL in Sure/Seal™