Description

4-Bromo-3-methylbenzaldehyde (CAS No. 78775-11-8) is a high-purity aromatic aldehyde compound with the molecular formula C₈H₇BrO. This halogenated benzaldehyde derivative features a bromo substituent at the para position and a methyl group at the meta position relative to the formyl functional group, making it a versatile building block for organic synthesis and pharmaceutical research. Our product is rigorously tested to ensure ≥98% purity (HPLC/GC) and is supplied as a crystalline solid with excellent batch-to-batch consistency. Ideal for Suzuki coupling reactions, Grignard reactions, and as a precursor for heterocyclic compound synthesis. Packaged under inert gas in amber glass vials to ensure stability and longevity.

Key Specifications:
– Molecular Weight: 199.05 g/mol
– Melting Point: 45-48°C
– Boiling Point: 265-267°C
– Density: 1.49 g/cm³
– Storage: 2-8°C under inert atmosphere
– Hazard Codes: Xi (Irritant)

Properties

• CAS Number: 78775-11-8
• Complexity: 124
• IUPAC Name: 4-bromo-3-methyl-benzaldehyde
• InChI: InChI=1S/C8H7BrO/c1-6-4-7(5-10)2-3-8(6)9/h2-5H,1H3
• InChI Key: YBXGUHGVNUFFJU-UHFFFAOYSA-N
• Exact Mass: 197.96803
• Molecular Formula: C8H7BrO
• Molecular Weight: 199.04
• SMILES: CC1=C(C=CC(=C1)C=O)Br
• Topological: 17.1
• Monoisotopic Mass: 197.96803
• Synonyms: 4-bromo-3-methylbenzaldehyde, 78775-11-8, DTXSID00448403, DTXCID00399224, 801-786-5, 4-bromo-3-methyl-benzaldehyde, MFCD07787170, 4-Bromo-m-tolualdehyde;, BENZALDEHYDE, 4-BROMO-3-METHYL-, 4-Bromo-3-methyl benzaldehyde, SCHEMBL1788343, SCHEMBL1877379, YBXGUHGVNUFFJU-UHFFFAOYSA-N, CL9119, AKOS006229122, AB42951, CS-W018591, FB68056, GS-4061, AC-29922, SY020689, A9880, EN300-96689, Z1198175071

Application

4-Bromo-3-methylbenzaldehyde serves as a critical intermediate in the synthesis of pharmaceutical compounds, particularly in the development of kinase inhibitors and anti-inflammatory agents. Its reactive aldehyde group enables facile conversion to alcohols, acids, or imines, while the bromo substituent facilitates cross-coupling reactions in medicinal chemistry. Researchers utilize this compound in the preparation of liquid crystals and organic electronic materials due to its conjugated aromatic system. It also finds application in agrochemical research as a precursor for herbicidal and fungicidal compounds.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (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.