Description

The 2-Bromo-5-(1,1-dimethylethyl)benzaldehyde (CAS: 875664-28-1) is a high-purity organic compound with the molecular formula C₁₁H₁₃BrO. This specialized aldehyde derivative features a bromo-substituted aromatic ring with a tert-butyl group at the 5-position, making it a valuable intermediate for synthetic organic chemistry and pharmaceutical research. With a molecular weight of 241.13 g/mol, this compound is ideal for nucleophilic substitution reactions, cross-coupling methodologies, and as a precursor for advanced ligand synthesis. Packaged under inert conditions to ensure stability, this product meets rigorous quality standards for researchers requiring precise and reliable reagents.

Properties

• CAS Number: 875664-28-1
• Complexity: 183
• IUPAC Name: 2-bromo-5-tert-butyl-benzaldehyde
• InChI: InChI=1S/C11H13BrO/c1-11(2,3)9-4-5-10(12)8(6-9)7-13/h4-7H,1-3H3
• InChI Key: DWEWHEDCZHKXHK-UHFFFAOYSA-N
• Exact Mass: 240.01498
• Molecular Formula: C11H13BrO
• Molecular Weight: 241.12
• SMILES: CC(C)(C)C1=CC(=C(C=C1)Br)C=O
• Topological: 17.1
• Monoisotopic Mass: 240.01498
• Synonyms: DTXSID401269500, 2-Bromo-5-(1,1-dimethylethyl)benzaldehyde, DTXCID901700121, 875664-28-1, 2-bromo-5-(tert-butyl)benzaldehyde, 2-bromo-5-t-butylbenzaldehyde, BENZALDEHYDE, 2-BROMO-5-(1,1-DIMETHYLETHYL)-, SCHEMBL23802024, CS-0437018, BENZALDEHYDE,2-BROMO-5-(1,1-DIMETHYLETHYL)-

This compound serves as a versatile building block in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its reactive aldehyde group enables facile derivatization, while the bromo substituent allows for palladium-catalyzed cross-coupling reactions. Researchers utilize it in Suzuki-Miyaura and Buchwald-Hartwig reactions to construct complex molecular architectures. It is also employed in material science for the synthesis of functionalized aromatic polymers.

Safety and Hazards

GHS Hazard Statements

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

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

If you are interested or have any questions, please contact us at support@atomfair.com

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