Methyl 5-bromonicotinate

Basic Information

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CAS Number

29681-44-5

Molecular Formula

C7H6BrNO2

Molecular Weight

216.03 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

96-100 °C

Boiling Point

241.7℃ at 760 mmHg

Density

1.579

Water Solubility

Slightly soluble in water.

Flash Point

100℃

Refractive Index

1.553

SMILES

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

InChI

InChI=1S/C7H6BrNO2/c1-11-7(10)5-2-6(8)4-9-3-5/h2-4H,1H3

InChIKey

AAJZXPWBILCHAW-UHFFFAOYSA-N

LogP

1.6306999999999998

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

151

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
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

5-bromo-nicotinic acid methyl ester
CS-W007467
AM20051048
Q-101238
Methyl 5-bromopyridine-3-carboxylate, 97%
Methyl 5-bromonicotinate
methyl 5-bromo-nicotinate
3-PYRIDINECARBOXYLIC ACID, 5-BROMO-, METHYL ESTER
MFCD00173668
Methyl 5-Bromo-3-pyridinecarboxylate
3-Bromo-5-methoxycarbonylpyridine
MS-3710
SCHEMBL309752
5-Bromo-3-pyridinecarboxylic Acid Methyl Ester
F1916-7021
5-bromo-3-pyridine carboxylic acid methyl ester
methyl-5-bromopyridine-3-carboxylate
AAJZXPWBILCHAW-UHFFFAOYSA-N
HMS1445C20
29681-44-5
methyl-5-bromo-pyridine-3-carboxylate
5-Bromopyridine-3-carboxylic acid methyl ester
3-bromo-5-pyridinecarboxylic acid methyl ester
SY005317
RB1030
M2008
CCG-251767
FT-0628848
STR08069
methyl-5-bromonicotinate
5-bromo nicotinic acid methyl ester

MDL Number

MFCD00173668

FAQ

What regulatory guidelines apply to Methyl 5-bromonicotinate (CAS: 29681-44-5)?

Methyl 5-bromonicotinate (CAS: 29681-44-5) is classified under GHS as a hazardous substance due to its potential to cause skin and eye irritation. It is subject to REACH regulations in the European Union, requiring manufacturers and importers to register the substance if the annual tonnage exceeds one ton. FDA and EPA have specific guidelines for the safe handling, storage, and disposal of this compound to ensure environmental protection and public safety.

Are there alternatives to Methyl 5-bromonicotinate (CAS: 29681-44-5) in synthesis?

Yes, there are alternative reagents that can be used in synthesis, such as methyl nicotinate or other brominated analogs. These alternatives can be chosen based on the specific reaction conditions and the desired product properties. However, the choice should be made considering the availability, cost, and overall efficiency of the process.

What is the market or research trend for Methyl 5-bromonicotinate (CAS: 29681-44-5)?

The market for Methyl 5-bromonicotinate (CAS: 29681-44-5) is steadily growing, driven by its applications in the pharmaceutical and agrochemical industries. Recent research trends focus on its use in the development of new drugs and crop protection agents. The trend also includes exploring its properties for use in alternative medicine and as a precursor in organic synthesis.

How should waste containing Methyl 5-bromonicotinate (CAS: 29681-44-5) be handled?

Waste containing Methyl 5-bromonicotinate (CAS: 29681-44-5) should be collected in appropriate containers and labeled with the correct hazard symbols. Incineration is a common method of disposal, but professional waste disposal services are recommended to ensure compliance with environmental regulations. Special precautions should be taken to prevent environmental contamination and ensure worker safety during the disposal process.