2-{[2-(4-Chlorophenoxy)-2-methylpropanoyl]oxy}ethyl nicotinate

Basic Information

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CAS Number

31637-97-5

Molecular Formula

C18H18ClNO5

Molecular Weight

363.8 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

48.0 to 52.0 deg-C

Boiling Point

214°C/0.3mmHg

Refractive Index

1.6500 (estimate)

SMILES

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CC(C)(C(=O)OCCOC(=O)C1=CN=CC=C1)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H18ClNO5/c1-18(2,25-15-7-5-14(19)6-8-15)17(22)24-11-10-23-16(21)13-4-3-9-20-12-13/h3-9,12H,10-11H2,1-2H3

InChIKey

XXRVYAFBUDSLJX-UHFFFAOYSA-N

LogP

3.292600000000002

Topological Polar Surface Area

74.72 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

449

Safety Information

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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

Synonyms & References

English

31637-97-5
Etofibrato [INN-Spanish]
2-(p-Chlorophenoxy)-2-methylpropionic acid 2-(nicotinoyloxy)ethyl ester
121GE005
2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl pyridine-3-carboxylate
AC-23121
SW219681-1
SCHEMBL3122
SMR002529563
T72280
Etofibrate [INN]
CHEBI:135535
NS00005283
ETOFIBRATE [MI]
EINECS 250-743-1
2-((2-(4-chlorophenoxy)-2-methylpropanoyl)oxy)ethyl nicotinate
Etofibratum
MFCD00865727
Q-201101
ethofibrate
ETOFIBRATE [MART.]
CS-0017444
E1359
Etofibrate, analytical standard
Q4116990
CHEMBL358150
23TF67G79M
UNII-23TF67G79M
CCG-268206
Lipo-Merz
Etofibratum [INN-Latin]

MDL Number

MFCD00865727

Customs Code

2942000000

FAQ

What regulatory guidelines apply to 2-{[2-(4-Chlorophenoxy)-2-methylpropanoyl]oxy}ethyl nicotinate (CAS: 31637-97-5)?

Regulatory guidelines for 2-{[2-(4-Chlorophenoxy)-2-methylpropanoyl]oxy}ethyl nicotinate (CAS: 31637-97-5) include GHS classification, which categorizes it as a hazardous substance requiring appropriate labeling and handling. REACH regulations in the EU mandate detailed safety assessment and registration. FDA and EPA requirements focus on safe use in pharmaceutical and agricultural applications, ensuring minimal environmental impact and worker safety.

Are there alternatives to 2-{[2-(4-Chlorophenoxy)-2-methylpropanoyl]oxy}ethyl nicotinate (CAS: 31637-97-5) in synthesis?

Alternative reagents for synthesizing compounds similar to 2-{[2-(4-Chlorophenoxy)-2-methylpropanoyl]oxy}ethyl nicotinate (CAS: 31637-97-5) include 4-chlorophenol and methyl propionate, which can be used to create analogous structures. Isomers and analogs may also serve as viable alternatives, depending on the specific requirements of the synthesis process.

What is the market or research trend for 2-{[2-(4-Chlorophenoxy)-2-methylpropanoyl]oxy}ethyl nicotinate (CAS: 31637-97-5)?

The market and research trend for 2-{[2-(4-Chlorophenoxy)-2-methylpropanoyl]oxy}ethyl nicotinate (CAS: 31637-97-5) indicates growing interest in its potential applications in pharmaceuticals and agrochemicals. Emerging research focuses on its efficacy and safety, with a current emphasis on understanding its mechanisms and optimizing its use in various formulations. Market trends suggest increasing demand due to its unique properties and potential for innovation in drug development.

How should waste containing 2-{[2-(4-Chlorophenoxy)-2-methylpropanoyl]oxy}ethyl nicotinate (CAS: 31637-97-5) be handled?

Waste containing 2-{[2-(4-Chlorophenoxy)-2-methylpropanoyl]oxy}ethyl nicotinate (CAS: 31637-97-5) should be collected in appropriate containers and stored separately. Incineration or professional waste disposal is recommended, with careful consideration of environmental protection precautions. This ensures compliance with regulatory requirements and minimizes environmental impact, particularly due to the compound's hazardous nature.