Description

3-tert-Butylaniline (CAS No. 5369-19-7) is a high-purity organic compound with the molecular formula C₁₀H₁₅N. This aromatic amine features a tert-butyl group at the 3-position of the aniline ring, offering unique steric and electronic properties for advanced chemical synthesis. Ideal for researchers and scientists, our 3-tert-Butylaniline is rigorously tested to ensure ≥98% purity (GC), making it suitable for pharmaceutical intermediates, agrochemical development, and material science applications. The product is supplied as a clear to pale-yellow liquid with a characteristic amine odor, packaged under inert gas to maintain stability. Available in quantities ranging from 1g to 1kg, it is stored in amber glass vials or HDPE bottles to prevent degradation. Key synonyms include EINECS 226-361-6, DTXSID30201942, and DTXCID60124433.

Properties

• CAS Number: 5369-19-7
• Complexity: 123
• IUPAC Name: 3-tert-butylaniline
• InChI: InChI=1S/C10H15N/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7H,11H2,1-3H3
• InChI Key: DPKTVUKEPNBABS-UHFFFAOYSA-N
• Exact Mass: 149.120449483
• Molecular Formula: C10H15N
• Molecular Weight: 149.23
• SMILES: CC(C)(C)C1=CC(=CC=C1)N
• Topological: 26
• Monoisotopic Mass: 149.120449483
• Synonyms: 3-tert-Butylaniline, 5369-19-7, EINECS 226-361-6, DTXSID30201942, DTXCID60124433, 226-361-6, 3-(tert-Butyl)aniline, MFCD00125078, 3-tert-butyl-phenylamine, 3-(tert-butyl)phenylamine, Benzenamine, 3-(1,1-dimethylethyl)-, 3-(t-butyl)aniline, m-t-butylaniline, 3-t-butylaniline, m-tert-butylaniline, 3-t-Butyl-aniline, 3-tert butylaniline, 3-tert-butyl aniline, 3-tert-butyl-aniline, 3-tert.butyl-aniline, meta-tert-butylaniline, aniline, 3-t-butyl-, Aniline, m-tert-butyl-,, SCHEMBL111419, SCHEMBL1806201, SCHEMBL6502798, SCHEMBL11546557, SCHEMBL27923506, SCHEMBL28493618, 3-(tert-Butyl)aniline, AldrichCPR, ALBB-021320, SBB051750, AKOS005256308, AS-5671, CS-W002387, SY018971, DB-006255, B4072, NS00032817, ST50824174, EN300-133117

Application

3-tert-Butylaniline serves as a versatile building block in organic synthesis, particularly in the preparation of specialty chemicals and functional materials. Its sterically hindered structure makes it valuable for developing pharmaceuticals, such as kinase inhibitors and other bioactive molecules. Additionally, it is employed in agrochemical research for synthesizing herbicides and pesticides with enhanced selectivity. The compound’s electron-rich aromatic system also facilitates its use in ligand design for catalysis and polymer modification.

Safety and Hazards

GHS Hazard Statements

• H302+H312+H332 (18.2%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (54.5%): 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 (54.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (81.8%): 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 (90.9%)
• Acute Tox. 4 (54.5%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (54.5%)
• STOT SE 3 (81.8%)

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