Description

p-Xylyl bromide (CAS No. 104-81-4) is a high-purity organic compound with the molecular formula C₈H₉Br, widely utilized in synthetic chemistry and research applications. This crystalline solid, also known as 1-(bromomethyl)-4-methylbenzene, serves as a versatile alkylating agent and intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty materials. With a molecular weight of 185.06 g/mol, it exhibits excellent reactivity in nucleophilic substitution reactions, making it valuable for introducing the p-xylyl group into target molecules. Our product is rigorously tested to ensure ≥98% purity (GC), packaged under inert conditions to maintain stability, and available in quantities from grams to kilograms to meet both lab-scale and industrial demands. Key synonyms include 4-Methylbenzyl bromide and alpha-Bromo-p-xylene.

Properties

• CAS Number: 104-81-4
• Complexity: 72.6
• IUPAC Name: 1-(bromomethyl)-4-methyl-benzene
• InChI: InChI=1S/C8H9Br/c1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3
• InChI Key: WZRKSPFYXUXINF-UHFFFAOYSA-N
• Exact Mass: 183.98876
• Molecular Formula: C8H9Br
• Molecular Weight: 185.06
• SMILES: CC1=CC=C(C=C1)CBr
• Monoisotopic Mass: 183.98876
• Physical Description: Needles from alcohol; White crystals, insoluble in water;
• Color/Form: Needles from alcohol
• Boiling Point: 220 °C
• Melting Point: 34 °C
• Flash Point: 98 °C – closed cup
• Solubility: Insoluble in water
• Density: 1.324 g/cu cm at 25 °C
• Vapor Pressure: 0.09 [mmHg]
• Stability/Shelf Life: Stable under recommended storage conditions.
• Synonyms: 4-Methylbenzyl bromide, 1-(Bromomethyl)-4-methylbenzene, P-XYLYL BROMIDE, alpha-Bromo-p-xylene, Benzene, 1-(bromomethyl)-4-methyl-, p-Xylyl alpha-bromide, .alpha.-Bromo-p-xylene, HSDB 2193, UNII-V2DIK2AP5I, V2DIK2AP5I, EINECS 203-240-6, 4methylbenzyl bromide, NSC-8050, P-XYLYL BROMIDE [MI], DTXSID7059305, P-XYLYL .ALPHA.-BROMIDE, omega-Bromo-p-xylene, alphaBromopxylol, alphaBromopxylene, pXylylalphabromide, pXylyl alphabromide, pXylene, alphabromo, pMethylbenzyl bromide, p(Bromomethyl)toluene, 4(bromomethyl)toluene, 1(Bromomethyl)4methylbenzene, Benzene, 1(bromomethyl)4methyl, DTXCID6032853, inchi=1/c8h9br/c1-7-2-4-8(6-9)5-3-7/h2-5h,6h2,1h, wzrkspfyxuxinf-uhfffaoysa-n, 104-81-4, p-Methylbenzyl bromide, 4-(Bromomethyl)toluene, p-(Bromomethyl)toluene, 1-(Bromomethyl)-4-Methyl-Benzene, 4-Methylbenzylbromide, .alpha.-Bromo-p-xylol, NSC 8050, p-Xylene, .alpha.-bromo-, p-Xylyl-.alpha.-bromide, alpha-Bromo-p-xylol, p-Xylyl-alpha-bromide, p-Xylene, alpha-bromo-, 4-bromomethyltoluene, p-Xylylbromid, MFCD00000181, 4-methybenzyl bromide, 4-methyl-benzylbromide, p-methyl benzyl bromide, 4-methyl benzyl bromide, 4-methyl-benzyl bromide, .omega.-Bromo-p-xylene, para methylbenzyl bromide, 4-(methyl)benzyl bromide, 4-methylphenylmethyl bromide, 1-Bromomethyl-4-methylbenzene, SCHEMBL121442, 4-Methylbenzyl bromide, 97%, 1-bromomethyl-4-methyl-benzene, SCHEMBL4650160, SCHEMBL9173130, SCHEMBL11781700, SCHEMBL28527907, NSC8050, STR01086, AKOS009158727, AC-7078, DB-000238, B0138, NS00023323, ST51039922, A24594, 1-(bromomethyl)-4-methyl-benzen;alpha-bromo-p-xylen, Q27291445

Application

p-Xylyl bromide is primarily employed as a benzylating agent in organic synthesis, facilitating the introduction of the p-methylbenzyl group into nucleophiles. It finds use in pharmaceutical intermediates for constructing active ingredients and in material science for modifying polymer frameworks. Researchers also utilize it to develop quaternary ammonium compounds and ligands for catalytic systems.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.