2-Chloro-6-(trifluoromethyl)isonicotinic acid

Basic Information

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CAS Number

796090-23-8

Molecular Formula

C7H3ClF3NO2

Molecular Weight

225.55 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1=C(C=C(N=C1C(F)(F)F)Cl)C(=O)O

InChI

InChI=1S/C7H3ClF3NO2/c8-5-2-3(6(13)14)1-4(12-5)7(9,10)11/h1-2H,(H,13,14)

InChIKey

OMXMPMNUSMLQQS-UHFFFAOYSA-N

LogP

2.452

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

234

Synonyms & References

English

OMXMPMNUSMLQQS-UHFFFAOYSA-N
AB67172
CS-0051936
2-Chloro-6-(trifluoromethyl)isonicotinic acid
SCHEMBL3243480
MFCD13188811
2-Chloro-6-(trifluoromethyl)isonicotinicacid
796090-23-8
2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic Acid
AC-29101
2-Chloro-6-trifluoromethylisonicotinic acid
AMY34743
Z1269110217
2-chloro-6-trifluoromethyl-isonicotinic acid
AS-47358
SY097629
F13423
DTXSID50459100
EN300-114361
AKOS016008866
2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid
2-Chloro-6-trifluoromethyl-isonicotinic acid
2-CHLORO-6-(TRIFLUOROMETHYL)-4-PYRIDINECARBOXYLIC ACID
4-Pyridinecarboxylic acid, 2-chloro-6-(trifluoromethyl)-
AGN-PC-004LQN
AK110480
KB-229955
2435AC
NE59463
CM10669
Z1695906763

MDL Number

MFCD13188811

FAQ

What regulatory guidelines apply to 2-Chloro-6-(trifluoromethyl)isonicotinic acid (CAS: 796090-23-8)?

2-Chloro-6-(trifluoromethyl)isonicotinic acid (CAS: 796090-23-8) falls under the regulatory framework of the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), which includes health, environmental, and physical hazard classification. For manufacturing and usage in the European Union, it is subject to the Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulation. Additionally, the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) may have specific requirements for its handling and disposal.

Are there alternatives to 2-Chloro-6-(trifluoromethyl)isonicotinic acid in its synthesis?

Alternatives to 2-Chloro-6-(trifluoromethyl)isonicotinic acid in its synthesis might include other isonicotinic acid derivatives such as 2-bromo-6-(trifluoromethyl)isonicotinic acid or 2-iodo-6-(trifluoromethyl)isonicotinic acid. These compounds can serve similar roles depending on the specific application. Common alternative reagents include trifluoromethyl chlorides or bromides and isonicotinic acid itself, which can be modified through various synthetic pathways to achieve the desired structure.

What is the market or research trend for 2-Chloro-6-(trifluoromethyl)isonicotinic acid (CAS: 796090-23-8)?

The market for 2-Chloro-6-(trifluoromethyl)isonicotinic acid (CAS: 796090-23-8) is currently driven by its applications in pharmaceuticals, particularly as intermediates in the synthesis of antiviral and anticancer drugs. Research trends indicate a focus on developing more efficient synthesis routes and exploring its use in diverse medicinal chemistry projects. Market trends suggest a steady demand with potential growth in emerging markets, especially in regions with a strong pharmaceutical industry.

How should waste containing 2-Chloro-6-(trifluoromethyl)isonicotinic acid (CAS: 796090-23-8) be handled?

Waste containing 2-Chloro-6-(trifluoromethyl)isonicotinic acid (CAS: 796090-23-8) should be collected in a suitable, leak-proof container and stored in a well-ventilated area away from incompatible materials. It should be treated as a hazardous waste and disposed of in accordance with local regulations. Professional incineration or other chemical waste disposal services are recommended. Environmental safety precautions include ensuring proper containment to prevent leaks and spills, and regular monitoring to assess the impact on the environment.