2-Chloro-5-nitro-3-(trifluoromethyl)pyridine

Basic Information

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CAS Number

99368-67-9

Molecular Formula

C6H2ClF3N2O2

Molecular Weight

226.54 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

Boiling Point

249 ºC

Density

1.618

Flash Point

105 ºC

SMILES

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C1=C(C=NC(=C1C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C6H2ClF3N2O2/c7-5-4(6(8,9)10)1-3(2-11-5)12(13)14/h1-2H

InChIKey

OPEZLLCPUDLUFV-UHFFFAOYSA-N

LogP

3.18520

Complexity

230

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

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 6.1 Class 6.1

Synonyms & References

English

AKOS015920199
SY028464
J-508874
SCHEMBL909437
FT-0714897
AMY6375
CS-W019821
AB07098
2-chloro-5-nitro-3-(trifluoromethyl)pyridine
2-Chloro-5-nitro-3-(trifluoromethyl)pyridine, 98%
DS-13840
SCHEMBL18863410
Pyridine, 2-chloro-5-nitro-3-(trifluoromethyl)-
EN300-109595
DTXSID00397285
2-Chloro-5-nitro-3-trifluoromethyl-pyridine
99368-67-9
MFCD00792435
2-Chloro-5-nitro-3-(trifluoromethyl)pyridine
2-CHLORO-3-TRIFLUOROMETHYL-5-NITROPYRIDINE
C6H2ClF3N2O2

MDL Number

MFCD00792435

FAQ

What are the physical and chemical properties of 2-Chloro-5-nitro-3-(trifluoromethyl)pyridine (CAS: 99368-67-9)?

2-Chloro-5-nitro-3-(trifluoromethyl)pyridine is a crystalline solid with a molecular weight of approximately 265.01 g/mol. It is slightly soluble in water and readily soluble in organic solvents like ethanol and acetonitrile. Chemically, it exhibits high reactivity due to the presence of both a nitro and a chloro substituent, making it prone to redox reactions. It has a melting point of around 175-178°C and a boiling point of approximately 300°C. It is stable under normal conditions but should be handled with care due to its reactivity.

How is 2-Chloro-5-nitro-3-(trifluoromethyl)pyridine (CAS: 99368-67-9) typically synthesized?

2-Chloro-5-nitro-3-(trifluoromethyl)pyridine can be synthesized via a multi-step process involving Friedel-Crafts alkylation and nitration of 3-chloro-5-(trifluoromethyl)pyridine. The key steps include the use of aluminum chloride as a catalyst for the alkylation, followed by the nitration using nitric acid and sulfuric acid. The yield is typically around 80%, with high selectivity towards the desired product.

What industries use 2-Chloro-5-nitro-3-(trifluoromethyl)pyridine (CAS: 99368-67-9)?

2-Chloro-5-nitro-3-(trifluoromethyl)pyridine is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It is also employed in the production of sensors and materials for electronic devices. Its high reactivity and specific functional groups make it valuable in these applications, although its use is limited due to its reactivity and potential hazards.

What precautions should be taken when handling 2-Chloro-5-nitro-3-(trifluoromethyl)pyridine (CAS: 99368-67-9)?

When handling 2-Chloro-5-nitro-3-(trifluoromethyl)pyridine (CAS: 99368-67-9), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or a fume hood to minimize exposure to fumes. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. A safety data sheet (SDS) should be consulted for detailed guidance on handling and storage. Due to its reactivity, it should be stored in a cool, dry place away from sources of ignition and incompatible materials.