p-Tolyl Magnesium Bromide

CAS Number: 4294-57-9

Molecular Formula: C7H7BrMg

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About p-Tolyl Magnesium Bromide

p-Tolylmagnesium Bromide (CAS 4294-57-9) is a pivotal Grignard reagent in the United States API intermediates market, where its role in palladium-catalyzed cross-coupling reactions is essential for synthesizing complex biaryl structures with Pharma/API purity of 99%. 4-Methylphenylmagnesium bromide is increasingly util...

p-Tolyl Magnesium Bromide Specifications

CAS Number

4294-57-9

Molecular Formula

C7H7BrMg

Molecular Weight

195.36 g/mol

IUPAC Name

magnesium;methylbenzene;bromide

Canonical SMILES

CC1=CC=[C-]C=C1.[Mg+2].[Br-]

InChI Key

ZRJNGFJIBZKXTP-UHFFFAOYSA-M

InChI

InChI=1S/C7H7.BrH.Mg/c1-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q-1;;+2/p-1

EINECS Number

627-101-8

MDL Number

MFCD00000040

HSN No

29319090

CAS Number

4294-57-9

Molecular Formula

C7H7BrMg

Molecular Weight

195.36 g/mol

IUPAC Name

magnesium;methylbenzene;bromide

Canonical SMILES

CC1=CC=[C-]C=C1.[Mg+2].[Br-]

InChI Key

ZRJNGFJIBZKXTP-UHFFFAOYSA-M

InChI

InChI=1S/C7H7.BrH.Mg/c1-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q-1;;+2/p-1

EINECS Number

627-101-8

MDL Number

MFCD00000040

HSN No

29319090

Molecular Weight

195.36 g/mol

Boiling Point

65-67 °C

Density

1.002 g/mL at 25 °C

PSA

0 Å²

Average mass

195.34 g/mol

Monoisotopic mass

193.95815 Da

Molar mass

195.34 g/mol

Vapour pressure

Precautionary Statement Codes

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501

Hazard Classes and Categories

Flam. Liq. 2 (39.4%) Skin Corr. 1B (100%)

Grignard Reagent

A common organometallic reagent used as a nucleophile in organic synthesis to form new carbon-carbon bonds, typically by reacting with carbonyl compounds to produce secondary or tertiary alcohols

Cross-coupling Reagent

A versatile building block employed in various palladium, nickel, or iron-catalyzed cross-coupling reactions, such as the Kumada reaction, to synthesize biaryl compounds and complex organic molecules

Polymerization Catalyst

A functional reagent used as a catalyst in cationic polymerization reactions to initiate the formation of high-molecular-weight polymers

Synthetic Intermediate

A reactive intermediate used to remove functional groups like chlorine, fluorine, sulfides, and tosylates from organic molecules in specialized chemical transformations.