Ethyl 5-bromonicotinate

Basic Information

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CAS Number

20986-40-7

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

Melting Point

37.0 to 41.0 deg-C

Boiling Point

92°C/0.5mmHg

Density

1.501

Flash Point

86-92℃/0.5mm

Refractive Index

1.544

SMILES

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

InChI

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

InChIKey

PCPIANOJERKFJI-UHFFFAOYSA-N

LogP

2.0208

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

163

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 IRRITANT Class IRRITANT

Synonyms & References

English

E0866
3-bromo-5-pyridine-carboxylic acid ethyl ester
MFCD00040366
CCG-41718
SY014061
DTXSID10175197
5-bromo nicotinic acid ethyl ester
3-bromo-5-pyridine carboxylic acid ethyl ester
ETHYL5-BROMONICOTINATE
Ethyl 5-Bromo-3-pyridinecarboxylate
A4556
AM20070270
Ethyl 5-bromonicotinate, AldrichCPR
AKOS000265047
HMS558M07
AC-9471
Q63398570
Maybridge1_006079
3-PYRIDINECARBOXYLIC ACID, 5-BROMO-, ETHYL ESTER
Q-101230
Ethyl 5-bromonicotinate
ethyl-5-bromonicotinate
NSC363896
ethyl 5-bromopyridine-3-carboxylate
NSC 363896
FS-2110
20986-40-7
EN300-85750
SR-01000631772-1
5-Bromonicotinicacidethylester
AB01806

MDL Number

MFCD00040366

Customs Code

2933399090

FAQ

What regulatory guidelines apply to Ethyl 5-bromonicotinate (CAS: 20986-40-7)?

Ethyl 5-bromonicotinate (CAS: 20986-40-7) falls under regulatory guidelines such as GHS (Global Harmonized System of Classification and Labelling of Chemicals) for classification and labelling. In Europe, it must comply with REACH regulations for registration, evaluation, authorization, and restriction of chemicals. For use in the United States, it adheres to FDA and EPA requirements regarding safety and environmental impact.

Are there alternatives to Ethyl 5-bromonicotinate (CAS: 20986-40-7) in synthesis?

There are alternative reagents that can be used in synthesis, such as ethyl nicotinate or ethyl 4-bromonicotinate, which are structurally similar but may offer different reactivity profiles. These alternatives can be chosen based on specific synthetic requirements and the desired end product properties.

What is the market or research trend for Ethyl 5-bromonicotinate (CAS: 20986-40-7)?

The market for Ethyl 5-bromonicotinate (CAS: 20986-40-7) is growing due to its application in the development of pharmaceuticals and agrochemicals. Research trends include its use in the synthesis of novel compounds with potential for anti-inflammatory and anti-cancer properties. Additionally, there is an increasing focus on sustainable and environmentally friendly synthesis methods.

How should waste containing Ethyl 5-bromonicotinate (CAS: 20986-40-7) be handled?

Waste containing Ethyl 5-bromonicotinate (CAS: 20986-40-7) should be collected in appropriate containers and stored separately to prevent environmental contamination. It is recommended to incinerate the waste or use professional waste disposal services that comply with local regulations. Proper handling includes ensuring the waste is not a source of pollution and that it is disposed of in an environmentally responsible manner.