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Ethyl 3-Fluoro-2-Methylbenzoate, a chemical compound with the molecular formula C10H11FO2, is a colorless liquid characterized by a faint fruity odor. It is recognized for its potential as a flavor or fragrance agent due to its pleasant aroma and is widely utilized in the synthesis of pharmaceuticals and agrochemicals. Additionally, it serves as an intermediate in the production of various other organic compounds, showcasing its unique chemical properties that make it valuable for diverse industrial applications.

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  • 114312-57-1 Structure
  • Basic information

    1. Product Name: Ethyl 3-Fluoro-2-Methylbenzoate
    2. Synonyms: Ethyl 3-Fluoro-2-Methylbenzoate;Benzoic acid, 3-fluoro-2-Methyl-, ethyl ester
    3. CAS NO:114312-57-1
    4. Molecular Formula: C10H11FO2
    5. Molecular Weight: 182.1915432
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 114312-57-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 230.7°C at 760 mmHg
    3. Flash Point: 90.8°C
    4. Appearance: /
    5. Density: 1.108g/cm3
    6. Vapor Pressure: 0.0648mmHg at 25°C
    7. Refractive Index: 1.489
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. CAS DataBase Reference: Ethyl 3-Fluoro-2-Methylbenzoate(CAS DataBase Reference)
    11. NIST Chemistry Reference: Ethyl 3-Fluoro-2-Methylbenzoate(114312-57-1)
    12. EPA Substance Registry System: Ethyl 3-Fluoro-2-Methylbenzoate(114312-57-1)
  • 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: 114312-57-1(Hazardous Substances Data)

114312-57-1 Usage

Uses

Used in Pharmaceutical Industry:
Ethyl 3-Fluoro-2-Methylbenzoate is used as a key intermediate in the synthesis of pharmaceuticals for its ability to contribute to the development of new drugs with specific therapeutic properties. Its unique structure allows for the creation of molecules with targeted effects on biological systems.
Used in Agrochemical Industry:
In the agrochemical sector, Ethyl 3-Fluoro-2-Methylbenzoate is utilized as an intermediate in the production of pesticides and other agrochemicals, enhancing their effectiveness in protecting crops and managing pests.
Used as a Flavor or Fragrance Agent:
Ethyl 3-Fluoro-2-Methylbenzoate is employed as a flavoring agent in the food and beverage industry, adding a subtle fruity note to various products. Its pleasant aroma also makes it suitable for use in the fragrance industry, where it can be incorporated into perfumes, cosmetics, and other scented products to provide a refreshing and appealing scent.
Used in Organic Compound Production:
As an intermediate in the synthesis of other organic compounds, Ethyl 3-Fluoro-2-Methylbenzoate plays a crucial role in the chemical industry. Its unique properties enable the creation of a wide range of products with various applications, from industrial chemicals to specialty materials.

Check Digit Verification of cas no

The CAS Registry Mumber 114312-57-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,4,3,1 and 2 respectively; the second part has 2 digits, 5 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 114312-57:
(8*1)+(7*1)+(6*4)+(5*3)+(4*1)+(3*2)+(2*5)+(1*7)=81
81 % 10 = 1
So 114312-57-1 is a valid CAS Registry Number.
InChI:InChI=1/C10H11FO2/c1-3-13-10(12)8-5-4-6-9(11)7(8)2/h4-6H,3H2,1-2H3

114312-57-1SDS

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 Ethyl 3-fluoro-2-methylbenzoate

1.2 Other means of identification

Product number -
Other names 3-Fluoro-2-methylbenzoic acid ethyl ester

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:114312-57-1 SDS

114312-57-1Relevant articles and documents

Pyridazone derivative and its uses

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Paragraph 0114, (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 0465; 0467-0468, (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; 00270-00271, (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.

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.

Dibenz[b,e]oxepin derivatives and pharmaceutical composition containing the same

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, (2008/06/13)

The present invention relates to compounds represented by the general formula (I): STR1 wherein R1 is H or methoxy, R2 is H, methoxy, OH or F, R3 is H or F, R4 is H or F at 7-, 8- or 9-position, and Ar is a benz

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