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ETHYL 4-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBOXYLATE is a pyrrole derivative chemical compound characterized by the molecular formula C8H6F3NO2. It features an ethyl ester group and a trifluoromethyl substituent, which contribute to its unique properties and potential applications in various fields.

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  • 120732-04-9 Structure
  • Basic information

    1. Product Name: ETHYL 4-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBOXYLATE
    2. Synonyms: ETHYL 4-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBOXYLATE;3-(Ethoxycarbonyl)-4-(trifluoromethyl)-1H-pyrrole
    3. CAS NO:120732-04-9
    4. Molecular Formula: C8H8F3NO2
    5. Molecular Weight: 207
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 120732-04-9.mol
  • Chemical Properties

    1. Melting Point: 162-164°
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: ETHYL 4-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBOXYLATE(CAS DataBase Reference)
    10. NIST Chemistry Reference: ETHYL 4-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBOXYLATE(120732-04-9)
    11. EPA Substance Registry System: ETHYL 4-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBOXYLATE(120732-04-9)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 120732-04-9(Hazardous Substances Data)

120732-04-9 Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
ETHYL 4-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBOXYLATE is used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals. Its unique structure and properties make it a valuable component in the development of new drugs and pesticides.
Used in Organic Synthesis:
In the field of organic synthesis, ETHYL 4-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBOXYLATE serves as a key building block for the creation of more complex organic molecules. Its versatility allows for the synthesis of a wide range of compounds with diverse applications.
Used in Medicinal Chemistry Research:
ETHYL 4-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBOXYLATE is utilized in medicinal chemistry research to explore its potential biological activities. Studies have shown that it exhibits antimicrobial and antifungal properties, making it a promising candidate for the development of new therapeutic agents.
Used in Antimicrobial Applications:
ETHYL 4-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBOXYLATE is used as an antimicrobial agent for its ability to inhibit the growth of various microorganisms. Its effectiveness in combating bacteria and fungi makes it a valuable tool in the development of new antimicrobial treatments.
Used in Antifungal Applications:
Similarly, ETHYL 4-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBOXYLATE is employed as an antifungal agent, demonstrating its potential to treat fungal infections. Its antifungal properties contribute to the ongoing search for new and effective treatments against fungal diseases.
Due to its diverse applications and potential, ETHYL 4-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBOXYLATE is of interest to scientists and researchers in various fields, including pharmaceuticals, agrochemicals, organic synthesis, and medicinal chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 120732-04-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,0,7,3 and 2 respectively; the second part has 2 digits, 0 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 120732-04:
(8*1)+(7*2)+(6*0)+(5*7)+(4*3)+(3*2)+(2*0)+(1*4)=79
79 % 10 = 9
So 120732-04-9 is a valid CAS Registry Number.

120732-04-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name Ethyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylate

1.2 Other means of identification

Product number -
Other names 3-ethoxycarbonyl-4-trifluoromethyl-1H-pyrrole

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:120732-04-9 SDS

120732-04-9Downstream Products

120732-04-9Relevant articles and documents

[3+2] Cycloaddition reactions of 1-substituted 3,3,3-trifluoropropenes with isonitriles – synthesis of pyrroles and pyrrolines

Markitanov, Yuriy N.,Timoshenko, Vadim M.,Rusanov, Eduard B.,Shermolovich, Yuriy G.

, (2021)

[Figure not available: see fulltext.] Cycloaddition reactions of 3,3,3-trifluoropropene derivatives containing an alkoxycarbonyl, sulfonyl, sulfoximine, or sulfamide substituent in position 1 with ethyl isocyanoacetate proceed with the formation of 3-(tri

New carboxylic acid amides of the pyrrole series: Synthetic routes and biological aspects

Walter, Harald

scheme or table, p. 351 - 362 (2009/01/31)

Complex II inhibitors play an important role in agrochemical fungicide research and have been known for more than 40 years. With the introduction of ortho-substituted heterocyclic amides, a breakthrough in activity level and spectrum within this class was achieved. In the meantime all major agrochemical companies have entered this field. In this paper, a special complex II subclass, the pyrrole carboxamides, will be introduced in more detail and the synthesis of selected compounds as well as a short biological SAR analysis of the pyrrole subclass will be discussed.

Trifluoromethylpyrrolcarboxamides

-

Example P 1, (2008/06/13)

The invention relates to pesticidal trifluoromethylpyrrolcarboxamides of formula I wherein R1is hydrogen, halogen, C1-4haloalkyl or C1-4alkyl, R2is C1-4alkyl, C1-4haloalkyl, C1-4alkoxy-C1-4alkyl, cyano, C1-4alkylsulfonyl, phenylsulfonyl, di(C1-4alkyl)aminosulfonyl, C1-6alkylcarbonyl, benzoyl, or substituted phenylsulfonyl or benzoyl, and A is a group wherein R3is C1-6alkyl, C1-6haloalkyl, C2-6alkenyl, C2-6haloalkenyl, C2-6alkinyl, C1-6alkoxy, C1-6haloalkoxy, C2-6alkenyloxy, C2-6haloalkenyloxy, C2-6alkinyloxy, C3-7cycloalkyl, C1-4alkyl-C3-7cycloalkyl, C4-7cycloalkenyl, C1-4alkyl-C4-7cycloalkenyl, C3-7cycloalkyloxy, C1-4alkyl-C3-7cycloalkyloxy, C5-7cycloalkenyloxy, C1-4alkyl-C5-7cycloalkenyloxy, phenyl, naphthyl, phenoxy, naphthyloxy, or substituted phenyl or phenoxy wherein the substitutents are one to three groups independently selected from halogen, C1-4alkyl, C1-4alkoxy, C1-4alkylthio, cyano, C1-4alkoxycarbonyl, C1-4alkylcarbonyl, C1-4haloalkyl, C1-4haloalkoxy, methylenedioxy or difluoromethylenedioxy, or phenyl; R4is hydrogen, halogen, C1-4alkyl, C1-4haloalkyl, C1-4alkoxy or C1-4haloalkoxy; and R5, R6and R7independently of each other are C1-6alkyl, C3-7cycloalkyl or C3-7cycloalkyl-C2-14alkyl. The compounds have plant-protecting properties and are suitable for protecting plants against infestation by phytopathogenic microorganisms.

Methods and compositions for protecting animals against attack and infestation by helminth, acarid and arthropod endo- and ectoparasites

-

, (2008/06/13)

This invention relates to methods and compositions for treating, controlling, preventing and protecting warm-blooded animals from infestation and infection by helminths, acarids and arthropod endo- and ectoparasites by administering or applying to the ani

Pyrrole carbonitrile and nitropyrrole insecticidal and acaricidal and molluscicidal agents

-

, (2008/06/13)

There are provided certain insecticidal, acaricidal and molluscicidal pyrrole carbonitrile and nitropyrrole compounds and a method for controlling insects, acarids and mollusks therewith. The invention also provides a method for protecting growing plants

Pyrrole carbonitrile and nitropyrrole insecticidal, acaricidal and molluscicidal agents and methods for the preparation thereof

-

, (2008/06/13)

There are provided certain insecticidal, acaricidal and molluscicidal pyrrole carbonitrile and nitropyrrole compounds and a method for controlling insects, acarids and mollusks therewith. The invention also provides a method for protecting growing plants

Novel pyrrole derivatives

-

, (2008/06/13)

Novel pyrrole derivatives of the formula STR1 wherein one of R2 and R3 is STR2 and the other of R2 and R3 as well as R4 and R5 are individually selected from the group consisting of hydrogen, halogen, alkyl of 1 to 18 carbon atoms, aryl of 6 to 14 carbon atoms, aralkyl of 7 to 18 carbon atoms, --CN, --CF3, --NO2, --COOAlk and Alk is alkyl of 1 to 8 carbon atoms, alkoxy of 1 to 8 carbon atoms, STR3 n is 0, 1 or 2, R', R1 ' and R2 ' are alkyl of 1 to 8 carbon atoms and R4 and R5 taken together with the carbon atoms to which they are attached may form an optionally further unsaturated carbon homocycle of up to 8 carbon atoms, Z is selected from the group consisting of hydrogen, --CN, --C CH, --CF3 and alkyl of 1 to 3 carbon atoms, A is the residue of a pyrethrinoid acid, R1 is selected from the group consisting of STR4 X', X, Y, Y' and Y" are individually selected from the group consisting of hydrogen, halogen, alkyl of 1 to 8 carbon atoms and aryl of 6 to 14 carbon atoms, the dotted line indicating an optional double bond, r' is selected from the group consisting of hydrogen, alkyl of 1 to 18 carbon atoms, aryl of 6 to 14 carbon atoms, aralkyl of 7 to 18 carbon atoms, --CF3, --COOAlk and alkoxy of 1 to 8 carbon atoms and Alk has the above definition, R" and R'" are individually selected from the group consisting of hydrogen, alkyl of 1 to 8 carbon atoms, aryl of 6 to 14 carbon atoms, aralkyl of 6 to 18 carbon atoms, --CF3 ' --COOAlk' and alkoxy of 1 to 8 carbon atoms and Alk' is alkyl of 1 to 8 carbon atoms having pesticidal properties and novel intermediates.

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