Description

2-Bromo-4-isopropylaniline (CAS No. 51605-97-1) is a high-purity halogenated aniline derivative with the molecular formula C₉H₁₂BrN. This compound features a bromine substituent at the ortho position and an isopropyl group at the para position relative to the amine functionality, making it a versatile intermediate in organic synthesis and pharmaceutical research. Its IUPAC name is 2-bromo-4-propan-2-ylaniline, and it is supplied as a crystalline solid with ≥98% purity (HPLC), ensuring optimal performance in demanding applications. Suitable for use in Suzuki coupling, Buchwald-Hartwig amination, and other cross-coupling reactions, this reagent is rigorously tested for trace metals, moisture, and impurities to meet the stringent requirements of research and industrial processes. Packaged under inert gas to ensure stability, it is ideal for use in drug discovery, agrochemical development, and material science.

Properties

• CAS Number: 51605-97-1
• Complexity: 125
• IUPAC Name: 2-bromo-4-isopropyl-aniline
• InChI: InChI=1S/C9H12BrN/c1-6(2)7-3-4-9(11)8(10)5-7/h3-6H,11H2,1-2H3
• InChI Key: WEMDUNBELVTSRP-UHFFFAOYSA-N
• Exact Mass: 213.01531
• Molecular Formula: C9H12BrN
• Molecular Weight: 214.10
• SMILES: CC(C)C1=CC(=C(C=C1)N)Br
• Topological: 26
• Monoisotopic Mass: 213.01531
• Synonyms: 2-Bromo-4-isopropylaniline, 51605-97-1, DTXSID70334622, DTXCID80285712, 674-067-5, wemdunbelvtsrp-uhfffaoysa-n, Benzenamine, 2-bromo-4-(1-methylethyl)-, 2-bromo-4-propan-2-ylaniline, MFCD00051585, 2-bromo-4-isopropyl-phenylamine, 2-Bromo-4-isopropylbenzenamine; 2-Bromo-4-isopropylphenylamine; 4-Isopropyl-2-bromoaniline, 2-bromo-4-(propan-2-yl)aniline, 2-bromo-4-isopropyl aniline, SCHEMBL840544, 2-bromo4-isopropyl-phenylamine, 2-bromo-4-(2-propyl)aniline, 2-bromo-4-(1-methylethyl)aniline, 2-bromo-4-(methylethyl)phenylamine, BCA60597, AKOS015835137, 2-Bromo-4-isopropylaniline, AldrichCPR, AS-40499, SY017092, DB-020638, B4724, CS-0154287, ST50408570, EN300-134449

Application

2-Bromo-4-isopropylaniline serves as a key building block in the synthesis of complex organic molecules, particularly in pharmaceutical and agrochemical research. Its bromine moiety enables participation in palladium-catalyzed cross-coupling reactions, facilitating the construction of biaryl and heteroaryl structures. The compound is also employed in the development of dyes, pigments, and advanced materials due to its aromatic amine functionality. Researchers value its stability and reactivity in nucleophilic substitution and electrophilic aromatic substitution reactions.

Safety and Hazards

GHS Hazard Statements

• H302+H312+H332 (12.5%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (87.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (87.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (37.5%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (87.5%)
• Acute Tox. 4 (87.5%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (87.5%)
• STOT SE 3 (37.5%)

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