Ethyl (5-bromo-3-pyridinyl)acetate

Basic Information

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CAS Number

847375-33-1

Molecular Formula

C9H10BrNO2

Molecular Weight

244.09 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

299.4±25.0℃ at 760 mmHg

SMILES

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CCOC(=O)CC1=CC(Br)=CN=C1

InChI

InChI=1S/C9H10BrNO2/c1-2-13-9(12)4-7-3-8(10)6-11-5-7/h3,5-6H,2,4H2,1H3

InChIKey

NKTQZLOIRUPOCR-UHFFFAOYSA-N

LogP

1.9497000000000002

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

175

Synonyms & References

English

Ethyl 2-(5-bromopyridin-3-yl)acetate
Ethyl 5-Bromopyridine-3-acetate
3-Pyridineacetic acid, 5-bromo-, ethyl ester
Ethyl (5-bromopyridin-3-yl)acetate
Ethyl2-(5-bromopyridin-3-yl)acetate
ethyl(5-bromo-3-pyridinyl)acetate
AMY38412
XIB37533
ethyl (5-bromo-3-pyridinyl)acetate
3029AC
Ethyl 2-(5-bromopyridin-3-yl) acetate
SY238207
(5-Bromopyridin-3-yl)acetic acid ethyl ester
(5-bromo-pyridin-3-yl

MDL Number

MFCD12031925

Customs Code

2933399090

FAQ

What regulatory guidelines apply to Ethyl (5-bromo-3-pyridinyl)acetate (CAS: 847375-33-1)?

Ethyl (5-bromo-3-pyridinyl)acetate (CAS: 847375-33-1) falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) and is classified as a hazardous substance. It is also regulated under the REACH (Registration, Evaluation, Authorization, and Restriction of Chemicals) framework in the European Union. Additionally, the Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) have specific requirements for the handling and disposal of this compound in the United States.

Are there alternatives to Ethyl (5-bromo-3-pyridinyl)acetate (CAS: 847375-33-1) in synthesis?

While Ethyl (5-bromo-3-pyridinyl)acetate (CAS: 847375-33-1) is a useful intermediate in organic synthesis, alternatives such as bromopyridines and other acetic esters can be considered based on the desired reaction outcomes. Common substitutes include ethyl (5-chloro-3-pyridinyl)acetate and ethyl (5-iodo-3-pyridinyl)acetate, among others.

What is the market or research trend for Ethyl (5-bromo-3-pyridinyl)acetate (CAS: 847375-33-1)?

The market for Ethyl (5-bromo-3-pyridinyl)acetate (CAS: 847375-33-1) is driven by its use in pharmaceutical and agrochemical industries. Research trends are focusing on its application in medicinal chemistry as a precursor for synthesizing complex molecules. Market trends indicate a steady demand, with emerging applications in sustainable chemistry and green synthesis techniques gaining attention.

How should waste containing Ethyl (5-bromo-3-pyridinyl)acetate (CAS: 847375-33-1) be handled?

Waste containing Ethyl (5-bromo-3-pyridinyl)acetate (CAS: 847375-33-1) should be collected in appropriate containers and stored in a well-ventilated area away from ignition sources. Incineration is a common disposal method, but professional waste disposal services should be used to ensure compliance with environmental regulations. Proper labeling and documentation of waste generation and disposal are essential to meet regulatory requirements.