bromo(pentan-3-yl)magnesium

• ChemBase ID: 140077
• Molecular Formular: C5H11BrMg
• Molecular Mass: 175.34984
• Monoisotopic Mass: 173.98945405
• SMILES: CCC(CC)[Mg]Br
• Canonical SMILES: CCC([Mg]Br)CC
• InChI: InChI=1S/C5H11.BrH.Mg/c1-3-5-4-2;;/h5H,3-4H2,1-2H3;1H;/q;;+1/p-1
• InChIKey: PLWIGERSUIOLRS-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(pentan-3-yl)magnesium
• IUPAC Traditional name: bromo(pentan-3-yl)magnesium
• Synonyms: 3-Pentylmagnesium bromide solution; 3-戊基溴化镁 溶液

Database IDs

• CAS Number: 4852-26-0
• MDL Number: MFCD10566984
• PubChem SID: 162234321
• PubChem CID: 13848706

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2386
• LogD (pH = 7.4): 2.2386
• Log P: 2.2386
• Molar Refractivity: 32.6751 cm^3
• Polarizability: 14.598529 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -20.2 °F; -29 °C
• Density: 0.953 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: 11-14/15-19-22-34-67
• Safety Statements: 16-26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H261-H302-H314-H336
• GHS Precautionary statements: P210-P231 + P232-P261-P280-P305 + P351 + P338-P422
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, 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.

Product Information

• Concentration: 2.0 M in diethyl ether
• Empirical Formula (Hill Notation): C5H11BrMg

DETAILS

Sigma Aldrich - 675245

Packaging
25, 4×25, 100 mL in Sure/Seal™