Description

3,5-Diethyl-1-bromobenzene (CAS No. 90267-03-1) is a high-purity aromatic bromo compound with the molecular formula C₁₀H₁₃Br. This organobromine derivative features a benzene ring substituted with bromine at the 1-position and ethyl groups at the 3- and 5-positions, offering a versatile building block for synthetic organic chemistry. Its IUPAC name is 1-bromo-3,5-diethylbenzene, and it is characterized by excellent stability, a well-defined structure, and compatibility with various coupling reactions. Suitable for use in research laboratories, pharmaceutical development, and material science applications, this compound is supplied with comprehensive analytical data including GC/HPLC purity, NMR, and MS spectra. Store in a cool, dry place away from light and oxidizing agents to ensure prolonged shelf life.

Properties

• CAS Number: 90267-03-1
• Complexity: 99.4
• IUPAC Name: 1-bromo-3,5-diethyl-benzene
• InChI: InChI=1S/C10H13Br/c1-3-8-5-9(4-2)7-10(11)6-8/h5-7H,3-4H2,1-2H3
• InChI Key: GJZCXWCBZPSQEV-UHFFFAOYSA-N
• Exact Mass: 212.02006
• Molecular Formula: C10H13Br
• Molecular Weight: 213.11
• SMILES: CCC1=CC(=CC(=C1)Br)CC
• Monoisotopic Mass: 212.02006
• Synonyms: 3,5-diethyl-1-bromobenzene, 674-564-7, 1-bromo-3,5-diethylbenzene, 90267-03-1, MFCD08062420, 3,5-Diethylbromobenzene, Benzene, 1-bromo-3,5-diethyl-, SCHEMBL491150, 1-bromo-3,5-diethyl-benzene, 1-Bromo-3,5-diethyl benzene, SCHEMBL1437868, SCHEMBL15063544, DTXSID00474762, GJZCXWCBZPSQEV-UHFFFAOYSA-N, CL8619, SBB094746, AKOS005257323, FS-4377, DB-005704, CS-0152534

Application

3,5-Diethyl-1-bromobenzene is widely employed as a key intermediate in the synthesis of complex organic molecules, particularly in pharmaceutical and agrochemical research. It serves as a precursor for Suzuki, Heck, and other palladium-catalyzed cross-coupling reactions to form biaryl structures. Additionally, this compound is utilized in the development of liquid crystals, polymers, and advanced materials due to its rigid aromatic core and reactive bromine moiety. Researchers also leverage its ethyl substituents for steric and electronic modulation in ligand design for catalysis.

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%)

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