bromo(phenyl)magnesium

• ChemBase ID: 128932
• Molecular Formular: C6H5BrMg
• Molecular Mass: 181.3129
• Monoisotopic Mass: 179.94250386
• SMILES: Br[Mg]c1ccccc1
• Canonical SMILES: Br[Mg]c1ccccc1
• InChI: InChI=1S/C6H5.BrH.Mg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q;;+1/p-1
• InChIKey: ANRQGKOBLBYXFM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(phenyl)magnesium
• IUPAC Traditional name: phenylmagnesium bromide
• Synonyms: Phenylmagnesium bromide solution; PMB; Phenylmagnesium bromide; 苯基溴化镁 溶液

Database IDs

• CAS Number: 100-58-3
• MDL Number: MFCD00000038
• Beilstein Number: 3588849
• PubChem SID: 162223234; 24859956; 24855569; 24887367; 24850350
• PubChem CID: 66852
• Wikipedia Title: Phenylmagnesium_bromide

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.7873
• LogD (pH = 7.4): 1.7873
• Log P: 1.7873
• Molar Refractivity: 34.2095 cm^3
• Polarizability: 14.970076 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Reacts violently in water
• Apperance: Colorless crystals
• Flash Point: 1 °F; 1.4 °F; -11 °C; 12.2 °F; -17 °C; -40 °C; -40 °F; -45 °C
• Density: 1.00 g/mL at 20 °C; 1.004 g/mL at 25 °C; 1.13 g/mL at 20 °C; 1.134 g/mL at 25 °C; 1.14 g cm^-3; 1.161 g/mL at 25 °C
• pKb: strong base

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924; 3399
• German water hazard class: 1; 3
• Hazard Class: 3; 4.3
• Packing Group: 1; 2
• Risk Statements: 11-14-19-22-34-67; 11-14-19-34; 11-14-19-34-37; R12 R14 R15 R20 R22 R35 R41
• Safety Statements: 16-26-29-33-36/37/39-45; 16-26-36/37/39-45; S16 S26 S30 S33 S36; S37 S39 S43 S45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• Main Hazard: flammable
• GHS Hazard statements: H225-H260-H314-H336; H225-H261-H314; H225-H314-H335; H225-H314-H336
• GHS Precautionary statements: P210-P223-P231 + P232-P261-P370 + P378-P422; P210-P231 + P232-P280-P305 + P351 + P338-P310-P422; P210-P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2924 3/PG 2; UN 3399 4.3/PG 1; UN 3399 4.3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: ~1 M in THF; ~3 M in diethyl ether; 1.0 M in THF; 2.9 M in 2-methyltetrahydrofuran; 3.0 M in diethyl ether; 45 % (w/w)
• Grade: purum
• Linear Formula: C6H5MgBr

DETAILS

Sigma Aldrich - 331376

Other Notes
Storage below 25°C may cause crystallization. Warm gently to redissolve solid.
Packaging
50, 100, 800 mL in Sure/Seal™

Sigma Aldrich - 171565

Other Notes
Storage below 25°C may cause formation of crystalline magnesium salts. Moving container to a warm location and occasional gentle swirling should redissolve the solid
Packaging
18 L in Kilo-Lab™
50, 100, 800 mL in Sure/Seal™
View returnable container options.

Sigma Aldrich - 257117

Packaging
200 mL in Sure-Pac™
Recommended products
Angled septum-inlet adapter Z118206 or straight septum-inlet adapter, 6mm I.D. inlet, Z118141 or straight septum-inlet adapter, 13mm I.D. inlet, Z118192 is recommended.

Sigma Aldrich - 703575

Packaging
100, 800 mL in Sure/Seal™
Legal Information
Product of Rockwood Lithium