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34415-31-1

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34415-31-1 Usage

General Description

2,3,5-trichloro-4,6-difluoropyridine is a chemical compound with the molecular formula C5HCl3F2N. It is a highly chlorinated and fluorinated derivative of pyridine, and is used as a building block in the synthesis of various pharmaceuticals, agrochemicals, and functional materials. 2,3,5-trichloro-4,6-difluoropyridine is known for its potent antifungal and antibacterial properties, and is commonly used as an intermediate in the production of fungicides and herbicides. It is also utilized in the manufacturing of insecticides, as well as in the development of new chemical compounds for a wide range of applications. In addition to its biological and agricultural uses, 2,3,5-trichloro-4,6-difluoropyridine is also employed in the field of materials science for its unique reactivity and ability to serve as a versatile building block in the preparation of advanced materials.

Check Digit Verification of cas no

The CAS Registry Mumber 34415-31-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,4,4,1 and 5 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 34415-31:
(7*3)+(6*4)+(5*4)+(4*1)+(3*5)+(2*3)+(1*1)=91
91 % 10 = 1
So 34415-31-1 is a valid CAS Registry Number.
InChI:InChI=1/C5Cl3F2N/c6-1-3(9)2(7)5(10)11-4(1)8

34415-31-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,3,5-Trichloro-4,6-difluoropyridine

1.2 Other means of identification

Product number -
Other names 2,3-Dichloro-5-chlorodifluoropyridine

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:34415-31-1 SDS

34415-31-1Synthetic route

Pentafluoropyridine
700-16-3

Pentafluoropyridine

3,5-dichloro-2,4,6-trifluoropyridine
1737-93-5

3,5-dichloro-2,4,6-trifluoropyridine

A

4-chloro-2,3,5,6-tetrafluoropyridine
52026-98-9

4-chloro-2,3,5,6-tetrafluoropyridine

B

3,4-dichloro-2,5,6-trifluoropyridinev
52026-99-0

3,4-dichloro-2,5,6-trifluoropyridinev

C

2,6-difluoro-3,4,5-trichloropyridine
5958-25-8

2,6-difluoro-3,4,5-trichloropyridine

D

2,3-Dichloro-5-chlorodifluoropyridine
34415-31-1

2,3-Dichloro-5-chlorodifluoropyridine

E

3-chloro-2,4,5,6-tetrafluoropyridine
1735-84-8

3-chloro-2,4,5,6-tetrafluoropyridine

F

2,5-Dichloro-3,4,6-trifluoro-pyridine

2,5-Dichloro-3,4,6-trifluoro-pyridine

Conditions
ConditionsYield
chromium(III) oxide at 520℃;A 15 % Spectr.
B 16 % Spectr.
C 10 % Spectr.
D 3 % Spectr.
E 20 % Spectr.
F 3 % Spectr.
potassium fluoride

potassium fluoride

2,3,4,5,6-pentachloropyridine
2176-62-7

2,3,4,5,6-pentachloropyridine

A

2,3-Dichloro-5-chlorodifluoropyridine
34415-31-1

2,3-Dichloro-5-chlorodifluoropyridine

B

3,5-dichloro-2,4,6-trifluoropyridine
1737-93-5

3,5-dichloro-2,4,6-trifluoropyridine

C

2,3,5,6-tetrachloro-4-fluoropyridine
34415-32-2

2,3,5,6-tetrachloro-4-fluoropyridine

Conditions
ConditionsYield
In N,N-dimethyl-formamide At 115-120 °C.;
In N,N-dimethyl-formamide At 115-120 °C.;
2,3,4,5,6-pentachloropyridine
2176-62-7

2,3,4,5,6-pentachloropyridine

A

tetrachloro-monofluoropyridine
17717-16-7

tetrachloro-monofluoropyridine

B

2,3-Dichloro-5-chlorodifluoropyridine
34415-31-1

2,3-Dichloro-5-chlorodifluoropyridine

C

3,5-dichloro-2,4,6-trifluoropyridine
1737-93-5

3,5-dichloro-2,4,6-trifluoropyridine

D

2,3,5,6-tetrachloro-4-fluoropyridine
34415-32-2

2,3,5,6-tetrachloro-4-fluoropyridine

Conditions
ConditionsYield
With tris(dimethylamino)sulfonium trimethylsilyldifluoride In tetrahydrofuran; tetrahydrofuran-d8 at 26℃; for 1h; Inert atmosphere; Glovebox; regioselective reaction;A 11.5 %Spectr.
B 38.2 %Spectr.
C 5.3 %Spectr.
D 45.1 %Spectr.
2,3,4,5,6-pentachloropyridine
2176-62-7

2,3,4,5,6-pentachloropyridine

A

2,3-Dichloro-5-chlorodifluoropyridine
34415-31-1

2,3-Dichloro-5-chlorodifluoropyridine

B

3,5-dichloro-2,4,6-trifluoropyridine
1737-93-5

3,5-dichloro-2,4,6-trifluoropyridine

C

2,3,5,6-tetrachloro-4-fluoropyridine
34415-32-2

2,3,5,6-tetrachloro-4-fluoropyridine

Conditions
ConditionsYield
With tris(dimethylamino)sulfonium trimethylsilyldifluoride In tetrahydrofuran; tetrahydrofuran-d8 at 26℃; for 1h; Inert atmosphere; Glovebox; regioselective reaction;A 51 %Spectr.
B 31 %Spectr.
C 16.2 %Spectr.
2,3,4,5,6-pentachloropyridine
2176-62-7

2,3,4,5,6-pentachloropyridine

A

2,3-Dichloro-5-chlorodifluoropyridine
34415-31-1

2,3-Dichloro-5-chlorodifluoropyridine

B

3,5-dichloro-2,4,6-trifluoropyridine
1737-93-5

3,5-dichloro-2,4,6-trifluoropyridine

Conditions
ConditionsYield
With tris(dimethylamino)sulfonium trimethylsilyldifluoride In tetrahydrofuran; tetrahydrofuran-d8 at 26℃; for 1h; Inert atmosphere; Glovebox; regioselective reaction;A 13.7 %Spectr.
B 85.1 %Spectr.
2,3,4,5,6-pentachloropyridine
2176-62-7

2,3,4,5,6-pentachloropyridine

A

tetrachloro-monofluoropyridine
17717-16-7

tetrachloro-monofluoropyridine

B

2,3-Dichloro-5-chlorodifluoropyridine
34415-31-1

2,3-Dichloro-5-chlorodifluoropyridine

C

2,3,5,6-tetrachloro-4-fluoropyridine
34415-32-2

2,3,5,6-tetrachloro-4-fluoropyridine

Conditions
ConditionsYield
With tris(dimethylamino)sulfonium trimethylsilyldifluoride In tetrahydrofuran; tetrahydrofuran-d8 at 26℃; for 1h; Inert atmosphere; Glovebox; regioselective reaction;A 18.2 %Spectr.
B 12.2 %Spectr.
C 69.7 %Spectr.
2,3-Dichloro-5-chlorodifluoropyridine
34415-31-1

2,3-Dichloro-5-chlorodifluoropyridine

(R, S)-propyl 4-(2-hydroxyphenoxy)propanoate
114767-66-7, 71701-90-1

(R, S)-propyl 4-(2-hydroxyphenoxy)propanoate

propyl2[4(3-chloro-5-chlorodifluoromethylpyridyl-2-oxy)phenoxy]propionate

propyl2[4(3-chloro-5-chlorodifluoromethylpyridyl-2-oxy)phenoxy]propionate

Conditions
ConditionsYield
In butanone
2,3-Dichloro-5-chlorodifluoropyridine
34415-31-1

2,3-Dichloro-5-chlorodifluoropyridine

sodium hydride
7646-69-7

sodium hydride

4-NH2-2-OCH3-C5Cl3N
35622-87-8

4-NH2-2-OCH3-C5Cl3N

(2,3,5-trichloro-6-fluoro-pyridin-4-yl)-(2,3,5-trichloro-6-methoxy-pyridin-4-yl)-amine
35622-44-7

(2,3,5-trichloro-6-fluoro-pyridin-4-yl)-(2,3,5-trichloro-6-methoxy-pyridin-4-yl)-amine

Conditions
ConditionsYield
In N,N-dimethyl-formamide 10 °C;;
In N,N-dimethyl-formamide 10 °C;;
2,3-Dichloro-5-chlorodifluoropyridine
34415-31-1

2,3-Dichloro-5-chlorodifluoropyridine

sodium hydride
7646-69-7

sodium hydride

4-NH2-2-OCH3-3,5-Cl2-C5FN
35622-80-1

4-NH2-2-OCH3-3,5-Cl2-C5FN

(3,5-dichloro-2-fluoro-6-methoxy-pyridin-4-yl)-(2,3,5-trichloro-6-fluoro-pyridin-4-yl)-amine
35622-75-4

(3,5-dichloro-2-fluoro-6-methoxy-pyridin-4-yl)-(2,3,5-trichloro-6-fluoro-pyridin-4-yl)-amine

Conditions
ConditionsYield
In N,N-dimethyl-formamide 10 °C;;
In N,N-dimethyl-formamide 10 °C;;
2,3-Dichloro-5-chlorodifluoropyridine
34415-31-1

2,3-Dichloro-5-chlorodifluoropyridine

benzyl alcohol
100-51-6

benzyl alcohol

4-C6H5CH2O-2-F-3,5,6-Cl3C5N
55316-00-2

4-C6H5CH2O-2-F-3,5,6-Cl3C5N

Conditions
ConditionsYield
In 1,4-dioxane 20 °C (stirring), in presence of (C2H5)3N;;
In 1,4-dioxane 20 °C (stirring), in presence of (C2H5)3N;;

34415-31-1Downstream Products

34415-31-1Relevant articles and documents

Computational and Experimental Studies of Regioselective SNAr Halide Exchange (Halex) Reactions of Pentachloropyridine

Froese, Robert D.J.,Whiteker, Gregory T.,Peterson, Thomas H.,Arriola, Daniel J.,Renga, James M.,Shearer, Justin W.

supporting information, p. 10672 - 10682 (2016/11/29)

The Halex reaction of pentachloropyridine with fluoride ion was studied experimentally and computationally with a modified ab initio G3MP2B3 method. The G3 procedure was altered, as the anionic transition state optimizations failed due to the lack of diffuse functions in the small 6-31G? basis set. Experimental Halex regioselectivities were consistent with kinetic control at the 4-position. The reverse Halex reaction of fluoropyridines with chloride sources was demonstrated using precipitation of LiF in DMSO as a driving force. Reverse Halex regioselectivity at the 4-position was predicted by computations and was consistent with kinetic control. Scrambling of halide ions between chlorofluoropyridines was catalyzed by n-Bu4PCl, and the products of these reactions were shown to result from a combination of kinetic and thermodynamic control. Comparison of the C-F and C-Cl homolytic bond dissociation energies suggests that an important thermodynamic factor which controls regioselectivity in this system is the weak C2-Cl bond. The differences between ΔH° values of chlorofluoropyridines can be explained by a combination of three factors: (1) the number of fluorine atoms in the molecule, (2) the number of fluorine atoms at the C2 and C6 positions, and (3) the number of pairs of fluorine atoms which are ortho to one another.

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