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Butyl 2-[4-(4-cyano-2-fluoro-phenoxy)phenoxy]propanoate is a chemical compound with the molecular formula C23H22FNO4. It is a propanoate ester derivative characterized by a butyl group attached to a propanoate ester. butyl 2-[4-(4-cyano-2-fluoro-phenoxy)phenoxy]propanoate features two phenoxy groups, with one of them substituted by a cyano group and a fluorine atom, contributing to its unique chemical properties.

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  • 122008-78-0 Structure
  • Basic information

    1. Product Name: butyl 2-[4-(4-cyano-2-fluoro-phenoxy)phenoxy]propanoate
    2. Synonyms: butyl 2-[4-(4-cyano-2-fluoro-phenoxy)phenoxy]propanoate;2-(4-ARYLOXYPHENOXY)PROPIONICACID;(R)-( )-2-(4-(2-Fluoro-4-cyanophenoxy)phenoxy)propanoic acid;Cyhalofop;Cyhalofop [iso;Cyhalofop acid;Propanoic acid, 2-(4-(4-cyano-2-fluorophenoxy)phenoxy)-, (R)-;(2R)-2-[4-(4-Cyano-2-fluorophenoxy)phenoxy]propanoic acid
    3. CAS NO:122008-78-0
    4. Molecular Formula: C20H20FNO4
    5. Molecular Weight: 301.27
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 122008-78-0.mol
  • Chemical Properties

    1. Melting Point: 50 °C
    2. Boiling Point: 446°Cat760mmHg
    3. Flash Point: 223.6°C
    4. Appearance: /
    5. Density: 1.36g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.596
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. PKA: 3.19±0.10(Predicted)
    11. CAS DataBase Reference: butyl 2-[4-(4-cyano-2-fluoro-phenoxy)phenoxy]propanoate(CAS DataBase Reference)
    12. NIST Chemistry Reference: butyl 2-[4-(4-cyano-2-fluoro-phenoxy)phenoxy]propanoate(122008-78-0)
    13. EPA Substance Registry System: butyl 2-[4-(4-cyano-2-fluoro-phenoxy)phenoxy]propanoate(122008-78-0)
  • Safety Data

    1. Hazard Codes: Xn,N
    2. Statements: 22-50
    3. Safety Statements: 61
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 122008-78-0(Hazardous Substances Data)

122008-78-0 Usage

Uses

Used in Pesticide Formulation:
Butyl 2-[4-(4-cyano-2-fluoro-phenoxy)phenoxy]propanoate is used as an active ingredient in the formulation of pesticides and herbicides. Its insecticidal and fungicidal properties make it effective in controlling pests and fungi that can damage crops and plants.
Used in Pharmaceutical Production:
butyl 2-[4-(4-cyano-2-fluoro-phenoxy)phenoxy]propanoate is also utilized in the production of pharmaceuticals. Its unique chemical structure allows it to be incorporated into various drug formulations, potentially enhancing their efficacy and performance.
Used in Industrial Product Manufacturing:
Butyl 2-[4-(4-cyano-2-fluoro-phenoxy)phenoxy]propanoate finds applications in the manufacturing of industrial products as well. Its chemical properties may be harnessed to improve the performance or characteristics of certain materials or products.
However, it is important to handle this compound with caution due to potential health and environmental risks if not managed properly. Proper safety measures and regulations should be followed to minimize any adverse effects.

Check Digit Verification of cas no

The CAS Registry Mumber 122008-78-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,2,0,0 and 8 respectively; the second part has 2 digits, 7 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 122008-78:
(8*1)+(7*2)+(6*2)+(5*0)+(4*0)+(3*8)+(2*7)+(1*8)=80
80 % 10 = 0
So 122008-78-0 is a valid CAS Registry Number.
InChI:InChI=1/C16H12FNO4/c1-10(16(19)20)21-12-3-5-13(6-4-12)22-15-7-2-11(9-18)8-14(15)17/h2-8,10H,1H3,(H,19,20)/t10-/m1/s1

122008-78-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name cyhalofop

1.2 Other means of identification

Product number -
Other names butyl 2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate

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:122008-78-0 SDS

122008-78-0Downstream Products

122008-78-0Relevant articles and documents

Preparation method of cyhalofop-butyl

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, (2020/08/09)

The invention provides a preparation method of cyhalofop-butyl. The preparation method comprises the following steps of: (1) taking 3, 4-difluorobenzonitrile and (R)-2-(4-hydroxyphenoxy) propionic acid as raw materials, carrying out an etherification reaction in the presence of an acid-binding agent potassium carbonate and a water-carrying agent, and filtering to remove potassium fluoride, so as to obtain potassium salt as shown in a formula I: (2) acidifying the potassium salt as shown in the formula I, so as to obtain an acidified product; and (3) carrying out an esterification reaction on the acidification reaction product obtained in the step (2) and n-butyl alcohol to obtain cyhalofop-butyl. According to the preparation method, the problems that in the prior art, mixed salt cannot beseparated, many three wastes are generated, COD and ammonia nitrogen in wastewater are high, and the productivity cannot be improved are solved, resource utilization of by-products is achieved, the product yield is high, and continuous and large-scale production of cyhalofop-butyl is conveniently achieved.

Preparation method of herbicide cyhalofop-butyl

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Paragraph 0019-0053; 0055-0058, (2020/07/24)

The invention discloses a preparation method of herbicide cyhalofop-butyl, and particularly relates to the field of biological pharmacy, and the preparation method specifically comprises the followingsteps: 1, selecting a clean double-neck flask, adding an organic solvent into the double-neck flask, and dissolving (R)-2-[4-(2-fluoro-4-cyanophenoxy) phenoxy] propionic acid into the organic solvent; 2, continuously adding solid inorganic base into the double-neck flask, heating to 50 DEG C, keeping the temperature, and conducting the reaction for 0.5-1 hour in the double-neck flask. By dissolving (R)-2-[4-(2-fluoro-4-cyanophenoxy) phenoxy] propionic acid into an organic solvent, adding solid inorganic base, heating the reaction materials to reflux and carrying out the reaction with water, aHPLC tracking reaction is completed, so that the cyhalofop-butyl is shorter in reaction step, simple and convenient to operate, few in reaction by-products, easy to control, harmless and low in safety risk, the product yield and the optical purity are improved, part of raw materials in the reaction process can be recycled, the cost is low, and industrial production is facilitated.

A method for synthesizing cyhalofop

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Paragraph 0012-0017, (2019/07/11)

The invention discloses a method for synthesizing cyhalofop-. In order to (R)- 2 - [4 - (4 - cyano - 2 - monofluoro-benzene oxygen radical) phenoxy] propionic acid methyl ester and butyl alcohol as the raw material, the function of the catalyst for produc

Synthesis method of cyhalofopbutyl raw pesticide

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Paragraph 0027; 0029; 0030; 0032; 0033; 0035; 0036-0039, (2019/05/08)

The invention relates to the field of organic synthesis, in particular to a synthesis method of cyhalofopbutyl raw pesticide. The method includes: firstly taking (R)-2-(4-hydroxphenoxyl)propionic acidand n-butyl alcohol as the raw materials to synthesize

Herbicide composition containing metamifop and quinclorac

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, (2019/03/08)

The invention discloses an herbicide composition containing metamifop and quinclorac. The herbicide composition comprises primary active ingredients and secondary active ingredients, wherein the primary active ingredients comprise the following components in parts by mass: 5-10 parts of metamifop and 10-20 parts of quinclorac; the secondary active ingredients are selected from the following components in parts by mass: 10-20 parts of cyhalofop-butyl, 3-8 parts of bispyribac-sodium, 1-6 parts of halosulfuron-methyl, 3-7 parts of pyrazosulfuron-ethyl and 6-10 parts of pyribenzoxim; and the secondary active ingredients refer to one of cyhalofop-butyl, bispyribac-sodium, halosulfuron-methyl, pyrazosulfuron-ethyl and pyribenzoxim. The invention relates to the technical field of herbicides. According to the herbicide composition containing metamifop and quinclorac disclosed by the invention, the problems such as herbicide resistant weed plants appearing, soil contamination, degradation of water, harm of non-weeds and the like are solved.

Method for synthesizing cyhalofop-butyl

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, (2018/03/06)

The invention discloses a method for synthesizing cyhalofop-butyl. The method comprises the following steps: taking R-2-(4-hydroxyphenoxy) propionic acid and 3,4-dichlorobenzonitrile as raw materials;and carrying out salifying, etherification, neutralization, esterification, fluorination reaction and post treatment to obtain the cyhalofop-butyl. According to the synthetic method disclosed by theinvention, by taking 3,4-dichlorobenzonitrile as the raw material, the cost of the raw material is greatly reduced; a reaction rout is simple and acidchloride reaction is avoided, so that the requirement on equipment is reduced and simplicity and convenience in operation are realized; in addition, both a solvent and a catalyst can be recycled and reused; the discharge amount of three wastes is small, and reaction conditions are mild; and the method is favorably popularized to industrial production.

Cyhalofop butyl synthetic method

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Paragraph 0020; 0021, (2017/10/26)

The invention relates to the field of chemical industry, and discloses a cyhalofop butyl synthetic method. The method comprises the following steps: 1) R-2-(4-hydroxyphenoxy)propionic acid and a catalyst are dissolved in an organic solvent to obtain a mixed solution M1; 2) slowly adding an acid binding agent in the solution M1 until no gas is generated to obtain a mixed solution M2; 3) adding bromobutane in the solution M2, reacting the materials to generate an intermediate R-2-(4-hydroxyphenoxy)butyl propionate at the temperature of 85-95 DEG C; and 4) keeping the temperature in the step 3), and adding 3,4-difluorobenzonitrile and reacting to generate the target product cyhalofop butyl. Compared with the prior art, a whole process is completed in a same reaction container, only steps (3) and (4) in the reaction keep the temperature at 85-95 DEG C, The subsequent raw materials can be directly added, the process is simple, the operation is easy, the reaction rate is high, the synthesis efficiency is high, and the yield is high.

NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND

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, (2017/08/26)

An object of the present invention is to provide a compound having the controlling activity on a noxious arthropod, and a noxious arthropod controlling agent containing an amide compound of formula (I): wherein X represents a nitrogen atom or a CH group, p represents 0 or 1, A represents a tetrahydrofuranyl group or the like, R1, R2, R3, R4, R5, R6 and R7 represent a hydrogen atom or the like, n represents 1 or 2, Y represents an oxygen atom or the like, m represents any integer of 0 to 7, and Q represents a C1-8 chain hydrocarbon group optionally having a phenyl group or the like, has the excellent noxious arthropod controlling effect.

Method for preparing cyhalofop-butyl

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Paragraph 0065; 0066, (2016/10/27)

Provided is a method for preparing cyhalofop-butyl. The method comprises the steps that (R)-2-(4-hydroxyphenoxy) propionic acid and 3,4-difluorobenzonitrile are subjected to an etherification reaction under the alkaline condition to obtain an (R)-2-[2-fluorine-4-cyano]-phenoxyl]-propionic acid intermediate, and then the (R)-2-[2-fluorine-4-cyano]-phenoxyl]-propionic acid intermediate and normal butanol are subjected to an esterification and dehydration reaction to obtain a cyhalofop-butyl product. According to the method for preparing cyhalofop-butyl, the reaction path is shortened, the production cost is reduced, the acylating chlorination step is omitted, the requirement on equipment is lowered, operation is simplified, the emissions of three wastes are reduced, and great guiding significance on process amplification and production is achieved.

Preparation method of cyhalofop-butyl

-

Paragraph 0037; 0040; 0041; 0042, (2017/02/09)

The invention relates to a preparation method of cyhalofop-butyl. The method comprises the following steps: by using (R)-2-(4-hydroxyphenoxy)propionic acid and 3,4-difluorobenzonitrile as raw materials and an inorganic alkali as an acid-binding agent, adding an organic alkali and a phase-transfer catalyst, carrying out etherification reaction under milder conditions within a short time to generate an intermediate (R)-2-[4-(2-fluoro-4-cyano)-phenoxy]-propionic acid, and carrying out esterification reaction for dehydration, wherein the total yield of the two reactions can reach 94% or above, and the optical purity is greater than 99%. The method lowers the etherification reaction temperature, shortens the etherification reaction time, enhances the reaction selectivity, completely maintains the chirality, and increases the product yield, thereby saving the energy consumption and lowering the cost. Besides, in the esterification reaction, the used dehydration solvent can lower the byproduct content, thereby omitting the refinement operation of the product, reducing the discharge amount of three wastes, and being beneficial to environmental protection.

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