Ethyl 3-bromoisonicotinate

Basic Information

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CAS Number

13959-01-8

Molecular Formula

C8H8BrNO2

Molecular Weight

230.06 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

263.4±20.0°C at 760 mmHg

SMILES

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CCOC(=O)c1ccncc1Br

InChI

InChI=1S/C8H8BrNO2/c1-2-12-8(11)6-3-4-10-5-7(6)9/h3-5H,2H2,1H3

InChIKey

KAJIRIIDTCRPKH-UHFFFAOYSA-N

LogP

2.0208

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Ethyl 3-bromoisonicotinate
3-bromo-4-Pyridinecarboxylic acid ethyl ester
ETHYL 3-BROMOPYRIDINE-4-CARBOXYLATE

MDL Number

MFCD11226640

Customs Code

2933399090

FAQ

What regulatory guidelines apply to Ethyl 3-bromoisonicotinate (CAS: 13959-01-8)?

Ethyl 3-bromoisonicotinate (CAS: 13959-01-8) is subject to various regulatory guidelines. It must comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), including labeling and safety data sheets. In the European Union, it must adhere to REACH regulations. For industrial use, it is advisable to check local and regional regulations regarding storage, handling, and disposal. The U.S. FDA and EPA may have additional requirements for its use in pharmaceutical or agricultural applications.

Are there alternatives to Ethyl 3-bromoisonicotinate (CAS: 13959-01-8) in synthesis?

Several alternatives to Ethyl 3-bromoisonicotinate (CAS: 13959-01-8) exist in synthesis. For instance, using other isosteres such as ethyl 2-bromoisonicotinate or ethyl 3-chlorisonicotinate can be considered. Additionally, alternative reagents like bromoacetic acid or chloroacetic acid can serve as starting materials for similar reactions. It is important to evaluate the cost, availability, and reactivity of these alternatives for optimal synthesis.

What is the market or research trend for Ethyl 3-bromoisonicotinate (CAS: 13959-01-8)?

The market for Ethyl 3-bromoisonicotinate (CAS: 13959-01-8) is currently stable, with increasing interest in its use for pharmaceutical and pesticide applications. Research trends indicate a growing focus on its potential as a precursor for developing new drugs and agrochemicals. Emerging studies are exploring its role in synthesizing active pharmaceutical ingredients (APIs) and bioactive compounds. The trend suggests a positive outlook, driven by its unique chemical properties and potential applications.

How should waste containing Ethyl 3-bromoisonicotinate (CAS: 13959-01-8) be handled?

Waste containing Ethyl 3-bromoisonicotinate (CAS: 13959-01-8) should be handled with care to ensure environmental safety. Collect waste in appropriate containers and store them in a secure, well-ventilated area away from ignition sources. For disposal, it is recommended to use professional waste disposal services that comply with local regulations. Incineration is a viable method, but ensure it is done in an approved facility. Always follow safety guidelines and wear appropriate personal protective equipment (PPE) during handling and disposal procedures.