Description

2-tert-Butylaniline (CAS No. 6310-21-0) is a high-purity organic compound with the molecular formula C₁₀H₁₅N, widely utilized in pharmaceutical, agrochemical, and specialty chemical synthesis. This aromatic amine features a tert-butyl group ortho to the amino functionality, offering steric hindrance that influences reactivity in coupling and condensation reactions. Its IUPAC name, 2-tert-butylaniline, reflects its precise structural configuration. Available in liquid form with >98% purity, this compound is rigorously tested via GC, NMR, and HPLC to ensure consistency for research and industrial applications. Proper storage under inert gas (e.g., N₂) at 2-8°C is recommended to prevent oxidation.

Properties

• CAS Number: 6310-21-0
• Complexity: 123
• IUPAC Name: 2-tert-butylaniline
• InChI: InChI=1S/C10H15N/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7H,11H2,1-3H3
• InChI Key: AEIOZWYBDBVCGW-UHFFFAOYSA-N
• Exact Mass: 149.120449483
• Molecular Formula: C10H15N
• Molecular Weight: 149.23
• SMILES: CC(C)(C)C1=CC=CC=C1N
• Topological: 26
• Monoisotopic Mass: 149.120449483
• Physical Description: Brown liquid;
• Synonyms: 2-tert-Butylaniline, 6310-21-0, Benzenamine, 2-(1,1-dimethylethyl)-, Aniline, 2-tert-butyl-, EINECS 228-634-5, NSC-43044, 3F46C9L299, 2-(1,1-DIMETHYLETHYL)BENZENAMINE, 2-(1,1-dimethylethyl)aniline, DTXSID50212439, NSC 43044, DTXCID00134930, 228-634-5, aeiozwybdbvcgw-uhfffaoysa-n, 2-(tert-Butyl)aniline, 2-tert-Butylphenylamine, 2-t-Butylaniline, 2-tert-butyl-phenylamine, MFCD00130023, 2-(tert-butyl)phenylamine, NSC43044, 2-tert-butyl aniline, 2-tert-butyl-aniline, aniline, 2-t-butyl-, 2-tert-Butylaniline, 98%, SCHEMBL70170, SCHEMBL141188, SCHEMBL1807373, SCHEMBL3596578, SCHEMBL6858865, UNII-3F46C9L299, SBB040454, AKOS000120405, CS-W002406, FT59848, MB00719, AC-25606, AS-13591, SY014888, DB-021530, NS00035296, ST50213732, EN300-20276, Z104477556

Application

2-tert-Butylaniline serves as a key intermediate in the synthesis of advanced pharmaceuticals, particularly in the development of sterically hindered active ingredients. It is employed in agrochemical research for constructing herbicides and fungicides with tailored selectivity. The compound’s ortho-substitution pattern also makes it valuable in catalysis and materials science for designing ligands and functionalized 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 (97.7%): 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 (97.7%)

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