4-(2-Methyl-2-propanyl)pyridine

Basic Information

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CAS Number

3978-81-2

Molecular Formula

C9H13N

Molecular Weight

135.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

-40°C

Boiling Point

197°C

Refractive Index

n20/D 1.495(lit.)

SMILES

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CC(C)(C)C1=CC=NC=C1

InChI

InChI=1S/C9H13N/c1-9(2,3)8-4-6-10-7-5-8/h4-7H,1-3H3

InChIKey

YSHMQTRICHYLGF-UHFFFAOYSA-N

LogP

2.3791

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

95.8

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class Comb liq Class Comb liq

Synonyms & References

English

p-tert-Butyl pyridine
4-t-butylpyridine
CS-W002002
SY010877
FT-0602086
4-tert-Butylpyridine
4-tert-Butyl-pyridine
BCP27511
B0388
AMY6960
4-(t-Butyl)pyridine
UNII-IL8V02163I
AKOS000120207
Pyridine, 4-(1,1-dimethylethyl)-
A6642
MFCD00006435
DTXSID20192855
Pyridine,1-dimethylethyl)-
InChI=1/C9H13N/c1-9(2,3)8-4-6-10-7-5-8/h4-7H,1-3H
NSC5104
EINECS 223-614-2
3978-81-2
4-t-butyl pyridine
NSC-5104
4-tert.butylpyridine
4-tert-butyl pyridine
CHEBI:195158
EN300-20692
4-tert- Butylpyridine
SCHEMBL65312
AS-10326

MDL Number

MFCD00006435

Customs Code

2933399090

FAQ

What regulatory guidelines apply to 4-(2-Methyl-2-propanyl)pyridine (CAS: 3978-81-2)?

4-(2-Methyl-2-propanyl)pyridine (CAS: 3978-81-2) is subject to various regulatory guidelines depending on its intended use. Under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), it may fall under categories that require specific hazard communication, including safety data sheets (SDS) and hazard pictograms. In the European Union, it must comply with the Registration, Evaluation, Authorization, and Restriction of Chemicals (REACH) regulation, which may require detailed documentation of its production, import, and use. Additionally, the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) may have specific requirements for its handling and use, particularly in the context of pharmaceuticals and environmental release.

Are there alternatives to 4-(2-Methyl-2-propanyl)pyridine (CAS: 3978-81-2) in synthesis?

Several alternatives to 4-(2-Methyl-2-propanyl)pyridine (CAS: 3978-81-2) can be used in synthesis, depending on the specific requirements of the reaction. Common alternatives include other substituted pyridines or related heterocycles. For instance, 2-methylpyridine and 3-methylpyridine are often used as precursors in similar reactions. Additionally, isomers such as 2-(2-methylpropyl)pyridine can be considered as alternatives. The choice of alternative reagents depends on factors such as reactivity, cost, and availability.

What is the market or research trend for 4-(2-Methyl-2-propanyl)pyridine (CAS: 3978-81-2)?

The market for 4-(2-Methyl-2-propanyl)pyridine (CAS: 3978-81-2) is driven by its applications in pharmaceuticals, agrochemicals, and fine chemicals. Research trends suggest an increasing focus on the development of synthetic routes that are more environmentally friendly and cost-effective. Additionally, there is ongoing interest in exploring its use in novel drug delivery systems and as a building block for complex molecules. Price trends indicate a stable market with minor fluctuations based on supply and demand dynamics. Emerging research fields include the use of 4-(2-Methyl-2-propanyl)pyridine in catalysis and as a precursor in organic synthesis.

How should waste containing 4-(2-Methyl-2-propanyl)pyridine (CAS: 3978-81-2) be handled?

Waste containing 4-(2-Methyl-2-propanyl)pyridine (CAS: 3978-81-2) should be managed in compliance with local and international regulations. It is advisable to collect the waste in sealed, compatible containers and ensure that the containers are properly labeled with the chemical name and hazardous nature of the waste. The waste should be disposed of through professional waste disposal services that are licensed to handle hazardous chemicals. Incineration can be a suitable method if the waste is not suitable for recycling or reclamation. Environmental precautions include avoiding direct contact with waste and ensuring proper ventilation during handling. Compliance with disposal regulations is crucial to prevent environmental contamination and ensure worker safety.