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2-Chloro-5-trifluoromethylpyridine

CAS：52334-81-3
MW:181.54293
MF：C6H3ClF3N

2-Chloro-5-trifluoromethylpyridine, with the chemical formula C6H3ClF3N and CAS registry number 52334-81-3, is a compound known for its applications in various chemical processes. This colorless liquid, also referred to as 2-Chloro-5-trifluoromethylpyridine, is characterized by its chlorine and trifluoromethyl functional groups. It is commonly used as a building block in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. The compound exhibits strong electron-withdrawing properties due to the presence of the chlorine and trifluoromethyl groups, making it useful in reactions that require such characteristics. Additionally, 2-Chloro-5-trifluoromethylpyridine is known for its low toxicity and high stability, making it a valuable tool in various chemical reactions and processes.

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Names and ldentifier
Properties
Use and Manufacturing
Msds
NMR Spectrum
Other Information
Computational chemical data
Related Questions
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 2-Chloro-5-trifluoromethylpyridine

1.2 Synonyms: 2 - chloro - 5-3 Methyl pyridine; 2,5-CTF; 2-chlorine-5-trifluoromethyl pyridine; 2-chloro-5-(trifluoromethyl)-pyridin; 2-CHLORO-5-(TRIFLUOROMETHYL)PYRIDINE; 2-choro-5-(trifluoromethyl) pyridine; 5-CTF; EINECS 257-856-5; MFCD00042225; oro-5-(trifL; Pyridine, 2-chloro-5-(trifluoromethyl)-; T6NJ BG EXFFF;

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1.3 CAS No.: 52334-81-3

1.4 CID: 92342

1.5 EINECS: 257-856-5

1.6 Molecular Formula: C6H3ClF3N

1.7 Inchi: InChI=1S/C6H3ClF3N/c7-5-2-1-4(3-11-5)6(8,9)10/h1-3H

1.8 InChkey: JFZJMSDDOOAOIV-UHFFFAOYSA-N

1.9 Canonical Smiles: C1=CC(=NC=C1C(F)(F)F)Cl

1.10 Isomers Smiles: C1=CC(=NC=C1C(F)(F)F)Cl

2. Properties

2.1 Appearance: White to yellow Crystalline Low Melting Solid

2.2 Storage: Ambient temperatures.

2.3 Chemical Properties: white to yellowish crystalline low melting solid 2-Chloro-5-trifluoromethylpyridine Preparation Products And Raw materials Preparation Products

2.4 Color/Form: White to yellow

2.5 pKa: -2.57±0.10(Predicted)

2.6 Water Solubility: Insoluble

2.7 Stability: Stable at room temperature in closed containers under normal storage and handling conditions.

2.8 StorageTemp: Keep in dark place,Sealed in dry,Room Temperature

3. Use and Manufacturing

3.1 Description

2-Chloro-5-trifluoromethylpyridine, with the chemical formula C6H3ClF3N, has the CAS number 52334-81-3. It appears as a colorless liquid with a faint, pungent odor. The basic structure of 2-Chloro-5-trifluoromethylpyridine consists of a pyridine ring with a chlorine atom and a trifluoromethyl group attached to it. This compound is soluble in organic solvents but insoluble in water. Safety information regarding 2-Chloro-5-trifluoromethylpyridine is not available.

Applicable Fields

Pesticide: 2-Chloro-5-trifluoromethylpyridine is used as a pesticide in agricultural applications. Its purpose in this field involves its ability to control pests and protect crops. The mechanism of action in pesticide use involves the disruption of the nervous system of pests, leading to their elimination.

Pharmaceuticals: This compound is also utilized in the pharmaceutical industry. Its purpose in this field involves its potential as a building block for the synthesis of various pharmaceutical compounds. The mechanism of action in pharmaceutical applications varies depending on the specific compound being synthesized.

Storage

Conditions: Store in a cool and dry place.

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3.2 Methods of Manufacturing: The preparation method takes 3-methylpyridine as the raw material, firstly chlorinates to obtain 2-chloro-5-trichloromethylpyridine, and then further fluorinates to obtain the product; it can also use 3-methylpyridine as the raw material, The fluorochlorination reaction is carried out in the presence of a catalyst to obtain the product. It is also possible to use 2-chloro-5-methylpyridine as a raw material, firstly chlorinate the side chain to 2-chloro-5-trichloromethylpyridine with chlorine gas, and then fluorinate the product with hydrogen fluoride.

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4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Inhalation, Category 4

Specific target organ toxicity \u2013 single exposure, Category 1

Specific target organ toxicity \u2013 repeated exposure, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H302+H332 Harmful if swallowed or if inhaled H370 Causes damage to organs H372 Causes damage to organs through prolonged or repeated exposure
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area. P260 Do not breathe dust/fume/gas/mist/vapours/spray.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P308+P311 IF exposed or concerned: Call a POISON CENTER/doctor/... P321 Specific treatment (see ... on this label). P314 Get medical advice/attention if you feel unwell.
Storage	P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. NMR Spectrum

13C NMR : in CDCl3

1H NMR : 400 MHz in CDCl3

IR : KBr disc

IR : nujol mull

Mass

6. Synthesis Route

52334-81-3Total: 8 Synthesis Route

69045-78-9 91 Suppliers

52334-81-3 294 Suppliers

33252-63-0 155 Suppliers

52334-81-3 294 Suppliers

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7. Precursor and Product

precursor:

33252-63-0

7783-56-4

2923-18-4

120120-26-5

69045-78-9

444120-91-6

22253-72-1

2926-29-6

69045-79-0

product:

33252-63-0

79456-26-1

74784-70-6

50488-42-1

69045-78-9

69045-84-7

76041-72-0

69045-85-8

89570-85-4

69045-82-5

8. Computed Properties

Molecular Weight：181.54293g/mol
Molecular Formula：C₆H₃ClF₃N
Compound Is Canonicalized：True
Exact Mass：2.7
XLogP3-AA：180.9906113
Monoisotopic Mass：180.9906113
Complexity：136
Rotatable Bond Count：0
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：4
Topological Polar Surface Area：12.9
Heavy Atom Count：：11
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADcQBiAYAEAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHQIAAAAADALBGjQ8gJIIEACgAjBnRACCgCAxByAI2CA4ZpgIIOLBk5GEIAhggADIyAYQAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

9.Other Information

BRN: 3649688

Chemical Properties: white to yellowish crystalline low melting solid

Uses: 2-Chloro-5-(trifluoromethyl)pyridine may be employed as model substrate to investigate the regioexhaustive functionalization.

Storage Conditions: The preparation method takes 3-methylpyridine as the raw material, firstly chlorinates to obtain 2-chloro-5-trichloromethylpyridine, and then further fluorinates to obtain the product; it can also use 3-methylpyridine as the raw material, The fluorochlorination reaction is carried out in the presence of a catalyst to obtain the product. It is also possible to use 2-chloro-5-methylpyridine as a raw material, firstly chlorinate the side chain to 2-chloro-5-trichloromethylpyridine with chlorine gas, and then fluorinate the product with hydrogen fluoride.

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10. Toltal 278 Suppliers View more

Baoji Guokang Healthchem co.,ltd

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Tel: Update Time:2024/11/15

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2-Chloro-5-(trifluoromethyl)pyridine CAS 52334-81-3

Wuhan Fortuna Chemical Co., Ltd.

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Tel: Update Time:2024/08/08

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Hebei Yanxi Chemical Co.,Ltd

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Tel: Update Time:2024/11/14

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Factory Supply 2-chloro-5-(trifluoromethyl)pyridine

Amitychem Corporation

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Tel: Update Time:2023/06/28

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Hangzhou KieRay Chem Co., Ltd.

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Tel: Update Time:2024/06/12

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11. Related Questions

: What is the synthesis method of 2-Chloro-5-trifluoromethylpyridine?2-Chloro-5-trifluoromethylpyridine is a fluorine-containing heterocyclic key organic intermediate with a wide range of applications in the fields of pesticides, pharmaceuticals, and fine chemicals. Sy..

12. Realated Product Infomation