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Ethyl 4-fluoro-2-methylbenzoate, a chemical compound with the molecular formula C10H11FO2, is a colorless to light yellow liquid characterized by a fruity odor. It is widely recognized for its applications in the flavor and fragrance industry, as well as for its role in the synthesis of pharmaceuticals and agrochemicals, capitalizing on its unique aromatic properties.

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  • 167758-88-5 Structure
  • Basic information

    1. Product Name: ethyl 4-fluoro-2-methylbenzoate
    2. Synonyms: ethyl 4-fluoro-2-methylbenzoate;4-Fluoro-2-methylbenzoic acid ethyl ester
    3. CAS NO:167758-88-5
    4. Molecular Formula: C10H11FO2
    5. Molecular Weight: 182.1915432
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 167758-88-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 226.2°C at 760 mmHg
    3. Flash Point: 88.2°C
    4. Appearance: /
    5. Density: 1.108g/cm3
    6. Vapor Pressure: 0.0828mmHg at 25°C
    7. Refractive Index: 1.489
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: ethyl 4-fluoro-2-methylbenzoate(CAS DataBase Reference)
    11. NIST Chemistry Reference: ethyl 4-fluoro-2-methylbenzoate(167758-88-5)
    12. EPA Substance Registry System: ethyl 4-fluoro-2-methylbenzoate(167758-88-5)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 167758-88-5(Hazardous Substances Data)

167758-88-5 Usage

Uses

Used in Flavor and Fragrance Industry:
Ethyl 4-fluoro-2-methylbenzoate is utilized as a flavoring agent and fragrance ingredient, particularly in food and cosmetic products, due to its fruity scent and ability to enhance the sensory experience of these products.
Used in Pharmaceutical Synthesis:
In the pharmaceutical industry, ethyl 4-fluoro-2-methylbenzoate serves as a key intermediate in the synthesis of various medicinal compounds, leveraging its unique aromatic structure to contribute to the development of new drugs.
Used in Agrochemical Synthesis:
Similarly, in agrochemical production, ethyl 4-fluoro-2-methylbenzoate is employed as a building block in the creation of different agrochemicals, where its aromatic properties are harnessed to improve the effectiveness of these products.
Safety Considerations:
Given its classification as a potentially hazardous chemical, ethyl 4-fluoro-2-methylbenzoate requires careful handling and adherence to proper safety precautions to mitigate risks associated with its use.

Check Digit Verification of cas no

The CAS Registry Mumber 167758-88-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,6,7,7,5 and 8 respectively; the second part has 2 digits, 8 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 167758-88:
(8*1)+(7*6)+(6*7)+(5*7)+(4*5)+(3*8)+(2*8)+(1*8)=195
195 % 10 = 5
So 167758-88-5 is a valid CAS Registry Number.
InChI:InChI=1/C10H11FO2/c1-3-13-10(12)9-5-4-8(11)6-7(9)2/h4-6H,3H2,1-2H3

167758-88-5SDS

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 4-Fluoro-2-methylbenzoic acid ethyl ester

1.2 Other means of identification

Product number -
Other names ETHYL 4-FLUORO-2-METHYLBENZOATE

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:167758-88-5 SDS

167758-88-5Relevant articles and documents

Pyridazone derivative and its uses

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Paragraph 0109, (2022/01/12)

The present invention belongs to the pharmaceutical field, specifically relates to a pyridazone derivative and its uses, compounds thereof and pharmaceutically acceptable salts, solvates including hydrates, polycrystallines, prodrugs, co-crystallines, tau

Influenza virus replication inhibitor and uses thereof

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Paragraph 0500; 0502-0504, (2020/05/05)

The invention belongs to the field of medicines, and particularly relates to a new compound serving as an influenza virus replication inhibitor, a preparation method thereof, a pharmaceutical composition containing the compound, and application of the compound and the pharmaceutical composition in the treatment of influenza. The compound is a compound shown in a formula (I) or a stereoisomer, a tautomer, oxynitride, a solvate, a metabolite, a pharmaceutically acceptable salt or prodrugs of the compound shown in the formula (I). The compound can well inhibit influenza viruses, and/or has lowercytotoxicity, more excellent in-vivo metabolic dynamics properties and in-vivo pharmacodynamic properties.

INFLUENZA VIRUS REPLICATION INHIBITOR AND USES THEREOF

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Paragraph 00190; 00283-00284, (2020/05/21)

The invention belongs to the field of medicine, and particularly relates to a novel compound as a replication inhibitor of influenza virus and a preparation method thereof, a pharmaceutical composition comprising the compound and use of the compound and pharmaceutical composition thereof in treating influenza. The present invention provides a compound having Formula (I) or a stereoisomer, a tautomer, an N-oxide, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof, The compound of the present invention can inhibit influenza virus well, and/or has lower cytotoxicity, better in vivo pharmacokinetic properties and in vivo pharmacodynamic properties.

Design, synthesis, and pharmacological evaluation of 4-azolyl-benzamide derivatives as novel GPR52 agonists

Tokumaru, Kazuyuki,Ito, Yoshiteru,Nomura, Izumi,Nakahata, Takashi,Shimizu, Yuji,Kurimoto, Emi,Aoyama, Kazunobu,Aso, Kazuyoshi

, p. 3098 - 3115 (2017/05/24)

G protein-coupled receptor 52 (GPR52) agonists are expected to improve the symptoms of psychiatric disorders. During exploration for a novel class of GPR52 agonists with good pharmacokinetic profiles, we synthesized 4-(3-(3-fluoro-5-(trifluoromethyl)benzyl)-5-methyl-1H-1,2,4-triazol-1-yl)-2-methylbenzamide (4u; half maximal effective concentration (EC50)?=?75?nM, maximal response (Emax)?=?122%) starting from a high-throughput screening hit 3 (EC50?=?470?nM, Emax?=?56%). The structural features of a reported GPR52 agonist were applied to 3, led to design 4-azolylbenzamides as novel GPR52 agonists. A structure–activity relationship study of 4-azolylbenzamide resulted in the design of the 1,2,4-triazole derivative 4u, which demonstrated excellent bioavailability in rats (F?=?53.8%). Oral administration of 4u (10?mg/kg) significantly suppressed methamphetamine-induced hyperlocomotion in mice. Thus, 4u is a promising lead compound for drug discovery research of GPR52 agonists.

Novel cyclic amide derivatives

-

, (2008/06/13)

Novel compounds represented by the following formula (I) that act as a ligand to sigma receptor/binding cite and a medicament comprising the same as an active ingredient: wherein X represents an alkyl group, an aryl group, a heterocyclic group or the like; Q represents a group represented by —CH2—, —CO—, —O—, —CH(OR7)— or the like wherein R7 represents a hydrogen atom, an alkyl group or the like; n represents an integer of from 0 to 5; R1 and R2 each represent a hydrogen atom, an alkyl group or the like; B represents either of the following groups: wherein R3, R4, R5, and R6 each represent a hydrogen atom, a halogen atom, an alkoxyl group or the like; m represents 1 or 2; and the ring of: represents an aromatic heterocyclic ring.

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