bromo(4-chlorophenyl)magnesium

• ChemBase ID: 148656
• Molecular Formular: C6H4BrClMg
• Molecular Mass: 215.75796
• Monoisotopic Mass: 213.90353151
• SMILES: c1cc(ccc1[Mg]Br)Cl
• Canonical SMILES: Br[Mg]c1ccc(cc1)Cl
• InChI: InChI=1S/C6H4Cl.BrH.Mg/c7-6-4-2-1-3-5-6;;/h2-5H;1H;/q;;+1/p-1
• InChIKey: CDEMHJCJMMOFMB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(4-chlorophenyl)magnesium
• IUPAC Traditional name: bromo(4-chlorophenyl)magnesium
• Synonyms: 4-Chlorophenylmagnesium bromide solution; 4-氯苯基溴化镁 溶液

Database IDs

• CAS Number: 873-77-8
• MDL Number: MFCD00009926
• PubChem SID: 162242831; 24855862
• PubChem CID: 101888

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3053
• LogD (pH = 7.4): 2.3053
• Log P: 2.3053
• Molar Refractivity: 39.0143 cm^3
• Polarizability: 16.948025 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -40 °C; -40 °F
• Density: 0.887 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: 11-14-19-22-34-67
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H314-H336
• GHS Precautionary statements: P210-P261-P280-P305 + P351 + P338-P310
• 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: 1.0 M in diethyl ether
• Linear Formula: ClC6H4MgBr

DETAILS

Sigma Aldrich - 262188

包装
100, 800 mL in Sure/Seal™