Description

4-tert-Butylpyridine (CAS No. 3978-81-2) is a high-purity organic compound with the molecular formula C₉H₁₃N. This tertiary butyl-substituted pyridine derivative is a versatile reagent widely used in chemical synthesis, catalysis, and materials science. Its unique steric and electronic properties make it an excellent ligand in coordination chemistry and a key additive in dye-sensitized solar cells (DSSCs) to enhance performance. Our product is rigorously tested to ensure ≥98% purity (GC), with low levels of impurities, making it ideal for sensitive applications. Supplied in amber glass bottles to ensure stability, it is suitable for researchers and industrial scientists requiring reliable and consistent quality.

Properties

• CAS Number: 3978-81-2
• Complexity: 95.8
• IUPAC Name: 4-tert-butylpyridine
• InChI: InChI=1S/C9H13N/c1-9(2,3)8-4-6-10-7-5-8/h4-7H,1-3H3
• InChI Key: YSHMQTRICHYLGF-UHFFFAOYSA-N
• Exact Mass: 135.104799419
• Molecular Formula: C9H13N
• Molecular Weight: 135.21
• SMILES: CC(C)(C)C1=CC=NC=C1
• Topological: 12.9
• Monoisotopic Mass: 135.104799419
• Physical Description: Clear brown liquid;
• Vapor Pressure: 0.97 [mmHg]
• Synonyms: 4-tert-Butylpyridine, 3978-81-2, Pyridine, 4-(1,1-dimethylethyl)-, Pyridine, 4-tert-butyl-, p-tert-Butyl pyridine, UNII-IL8V02163I, 4-(t-Butyl)pyridine, IL8V02163I, NSC 5104, NSC-5104, EINECS 223-614-2, AI3-36657, DTXSID20192855, Pyridine, 4tertbutyl, Pyridine, 4tertbutyl (8CI), Pyridine, 4(1,1dimethylethyl), Pyridine, 4-tert-butyl-(8CI), DTXCID60115346, 223-614-2, inchi=1/c9h13n/c1-9(2,3)8-4-6-10-7-5-8/h4-7h,1-3h, yshmqtrichylgf-uhfffaoysa-n, 4-(TERT-BUTYL)PYRIDINE, 4-t-butylpyridine, 4-tert-Butyl-pyridine, MFCD00006435, NSC5104, 4-tertbutylpyridine, 4-t-butyl pyridine, 4-tert.butylpyridine, 4-tert-butyl pyridine, 4-tert- Butylpyridine, pyridine, 4-t-butyl-, Pyridine,1-dimethylethyl)-, SCHEMBL65312, 4-tert-Butylpyridine, 96%, SCHEMBL177851, SCHEMBL2250212, SCHEMBL2250973, SCHEMBL2253048, SCHEMBL2947204, SCHEMBL27871642, CHEBI:195158, BCP27511, AKOS000120207, CS-W002002, FB11129, AS-10326, SY010877, DB-049483, B0388, NS00030667, ST51037947, EN300-20692, Q10846092

Application

4-tert-Butylpyridine is primarily used as an additive in dye-sensitized solar cells (DSSCs) to improve open-circuit voltage and overall efficiency. It also serves as a ligand in transition metal catalysis and as a building block in pharmaceutical and agrochemical synthesis. Its steric hindrance makes it valuable in studying steric effects in organic reactions.

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 (95.6%): 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 (95.6%)

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