bromo(prop-1-yn-1-yl)magnesium

• ChemBase ID: 151302
• Molecular Formular: C3H3BrMg
• Molecular Mass: 143.26492
• Monoisotopic Mass: 141.9268538
• SMILES: CC#C[Mg]Br
• Canonical SMILES: CC#C[Mg]Br
• InChI: InChI=1S/C3H3.BrH.Mg/c1-3-2;;/h1H3;1H;/q;;+1/p-1
• InChIKey: YVJBCTFVENNIOV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(prop-1-yn-1-yl)magnesium
• IUPAC Traditional name: bromo(prop-1-yn-1-yl)magnesium
• Synonyms: 1-Propynylmagnesium bromide solution; 1-丙炔溴化镁 溶液

Database IDs

• CAS Number: 16466-97-0
• MDL Number: MFCD00216588
• Beilstein Number: 3929146
• PubChem SID: 24866829; 162245458
• PubChem CID: 3608069

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3897
• LogD (pH = 7.4): 1.3897
• Log P: 1.3897
• Molar Refractivity: 21.219 cm^3
• Polarizability: 9.983479 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65-67 °C
• Flash Point: -1 °C; 30.2 °F
• Density: 0.941 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3399
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 11-14/15-19-34-37
• Safety Statements: 16-26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H261-H314-H335
• GHS Precautionary statements: P210-P231 + P232-P261-P280-P305 + P351 + P338-P422
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3399 4.3/PG 1
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: CH3C≡CMgBr

DETAILS

Sigma Aldrich - 429007

Application
Preparation of hydroxy enynes which underwent gold(I)-catalyzed benzannulation leading to tetrahydronaphthalenes.1
Packaging
100, 800 mL in Sure/Seal™