Methyl 5-bromo-6-chloronicotinate

Basic Information

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CAS Number

78686-77-8

Molecular Formula

C7H5BrClNO2

Molecular Weight

250.48 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

Physical State

Pale-yellow to Yellow-brown Solid

Melting Point

75-77°C

Density

1.684

Flash Point

122.7℃

Refractive Index

1.568

SMILES

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COC(=O)C1=CC(=C(N=C1)Cl)Br

InChI

InChI=1S/C7H5BrClNO2/c1-12-7(11)4-2-5(8)6(9)10-3-4/h2-3H,1H3

InChIKey

WINGWVOUOFMOJQ-UHFFFAOYSA-N

LogP

2.2841000000000005

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

179

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

CS-W003131
EN300-256258
MFCD03844855
5-Bromo-6-chloronicotinic acid methyl ester
METHYL5-BROMO-6-CHLORONICOTINATE
78686-77-8
FT-0602635
A9875
Methyl 5-bromo-6-chloronicotinate
7W-0337
5-bromo-6-chloro-nicotinic acid methylester
AKOS005071132
DTXSID70377397
5-bromo-6-chloro-3-pyridinecarboxylic acid methyl ester
AM20070215
BB 0261654
3-Pyridinecarboxylic acid, 5-bromo-6-chloro-, methyl ester
SY007495
Methyl 5-bromo-6-chloropyridine-3-carboxylate, AldrichCPR
methyl 5-bromo-6-chloropyridine-3-carboxylate
J-522461
AC-3567
SCHEMBL336391
5-bromo-6-chloro-nicotinic acid methyl ester
Z1269219819
BCP09354
3-Bromo-4-chloro-benzoicacidmethylester
methyl 5-bromo-6-chloro-3-pyridinecarboxylate
WINGWVOUOFMOJQ-UHFFFAOYSA-N
Methyl 5-bromo-6-chloropyridine-3-carboxylate
5-Bromo-6-chloronicotinicacid methyl ester

MDL Number

MFCD03844855

Customs Code

2933399090

FAQ

What is Methyl 5-bromo-6-chloronicotinate (CAS: 78686-77-8)?

Methyl 5-bromo-6-chloronicotinate is a bromo- and chloro-substituted nicotinate derivative with the chemical formula C8H7BrClNO2. It is a white crystalline solid, commonly used as a chemical intermediate in pharmaceutical and organic synthesis applications. The compound exhibits moderate solubility in polar solvents and is characterized by its aromatic pyridine ring with functional groups, making it valuable in drug development. Its unique structure allows for tailored reactivity in various chemical reactions, supporting its role in synthetic chemistry.

What are the main uses of Methyl 5-bromo-6-chloronicotinate (CAS: 78686-77-8)?

Methyl 5-bromo-6-chloronicotinate is primarily used in pharmaceutical research for synthesizing antidiabetic, anti-inflammatory, and antiviral compounds. It also serves industrial purposes, such as in dye and pesticide production, due to its reactivity. In research settings, it functions as a building block for creating novel organic molecules. Additionally, it may be utilized in food additives or as a precursor for other chemical derivatives, depending on the application.

Is Methyl 5-bromo-6-chloronicotinate (CAS: 78686-77-8) safe?

Methyl 5-bromo-6-chloronicotinate is considered hazardous and requires careful handling. It may cause respiratory or skin irritation and is toxic if ingested or inhaled. Safety standards include following OSHA and EPA guidelines, using appropriate PPE like gloves and goggles, and ensuring proper ventilation. It is classified under GHS as a substance requiring caution in industrial and laboratory environments.

How should Methyl 5-bromo-6-chloronicotinate (CAS: 78686-77-8) be stored?

Store Methyl 5-bromo-6-chloronicotinate in a cool (2-8°C), dry, and dark location in sealed, airtight containers to prevent moisture and light exposure. Avoid contact with incompatible materials and ensure proper ventilation. Maintain stability by keeping it away from air and heat sources, and follow specific safety protocols for chemical storage to minimize risks.