2,6-Dichloro-5-fluoronicotinic acid

Basic Information

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CAS Number

82671-06-5

Molecular Formula

C6H2Cl2FNO2

Molecular Weight

209.99 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

Physical State

White to Yellow Solid

Melting Point

151.0 to 156.0 deg-C

Boiling Point

247°C (rough estimate)

Density

1.6207 (estimate)

Flash Point

102.1℃

Refractive Index

1.531

SMILES

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C1=C(C(=NC(=C1F)Cl)Cl)C(=O)O

InChI

InChI=1S/C6H2Cl2FNO2/c7-4-2(6(11)12)1-3(9)5(8)10-4/h1H,(H,11,12)

InChIKey

LTDGKGCHRNNCAC-UHFFFAOYSA-N

LogP

2.2257

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

192

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

2,6-Dichloro-5-fluoro-nicotinic acid
SCHEMBL113812
2,6 Dichloro-5-fluoro-nicotinic acid
HY-W002688
LTDGKGCHRNNCAC-UHFFFAOYSA-N
Q-200206
2,6-Dichloro-5-fluoronicotinic acid
CS-W002688
FT-0601512
82671-06-5
2,6-Dichloro-5-fluoro-3-pyridinecarboxylic acid
2,6-dichloro-5-fluoro-pyridine-3-carboxylic Acid
3-Pyridinecarboxylic acid, 2,6-dichloro-5-fluoro-
D2610
AC-6523
CHEMBL5220253
2,6-bis(chloranyl)-5-fluoranyl-pyridine-3-carboxylic acid
2,6-Dichloro-5-fluoropyridine-3-carboxylic acid, 97%
2,6-Dichloro-5-fluoropyridine-3-carboxylic acid
2,6-Dichloro-5-fluoro-nicotinicacid
2,6-dichloro-5-fluoro nicotinic acid
MFCD00799517
8271-06-5
AM20070267
AS-14250
SY013440
DTXSID00369962
2,6-Dichloro-5-fluoropyridine-3-carboxylicacid
AKOS005257647
Z1065630354
EN300-66752

MDL Number

MFCD00799517

Customs Code

2933399090

FAQ

What is 2,6-Dichloro-5-fluoronicotinic acid (CAS: 82671-06-5)?

2,6-Dichloro-5-fluoronicotinic acid (CAS: 82671-06-5) is a synthetic organic compound containing a nicotinic acid core with two chlorine atoms and one fluorine atom substituents. It is a white crystalline solid with a molecular formula of C6H3Cl2FNO2 and exhibits moderate solubility in polar solvents. This compound is known for its potential applications in medicinal chemistry due to its structural versatility and biological activity.

What are the main uses of 2,6-Dichloro-5-fluoronicotinic acid (CAS: 82671-06-5)?

2,6-Dichloro-5-fluoronicotinic acid (CAS: 82671-06-5) is primarily used in pharmaceutical research as a building block for the development of drugs targeting metabolic disorders. It also finds applications in agrochemicals and as an intermediate in the synthesis of various organic compounds. Its unique chemical structure makes it valuable in studies related to enzyme inhibition and drug design.

Is 2,6-Dichloro-5-fluoronicotinic acid (CAS: 82671-06-5) safe?

2,6-Dichloro-5-fluoronicotinic acid (CAS: 82671-06-5) is considered hazardous due to its potential to cause skin and eye irritation. It should be handled with appropriate protective measures, including gloves, goggles, and a fume hood. Safety data sheets (SDS) recommend avoiding inhalation and ingestion, and proper disposal methods should be followed to ensure environmental safety.

How should 2,6-Dichloro-5-fluoronicotinic acid (CAS: 82671-06-5) be stored?

2,6-Dichloro-5-fluoronicotinic acid (CAS: 82671-06-5) should be stored in a cool, dry, and well-ventilated area, away from light and moisture. It is best kept in a sealed container made of glass or high-density polyethylene (HDPE) to maintain stability and prevent contamination. Storage conditions should avoid exposure to heat and incompatible substances to ensure long-term integrity.