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Benzoic acid, 2-bromo-4-fluoro-, ethyl ester is a chemical compound with the molecular formula C9H8BrFO2. It is a derivative of benzoic acid, featuring a bromine atom at the 2nd position and a fluorine atom at the 4th position, with an ethyl ester group attached. Benzoic acid, 2-bromo-4-fluoro-, ethyl ester is known for its potential applications in the synthesis of pharmaceuticals, agrochemicals, and fine chemicals, as well as in organic synthesis and medical research.

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  • 651341-68-3 Structure
  • Basic information

    1. Product Name: Benzoic acid, 2-broMo-4-fluoro-, ethyl ester
    2. Synonyms: Benzoic acid, 2-broMo-4-fluoro-, ethyl ester;ethyl 2-bromo-4-fluorobenzoate
    3. CAS NO:651341-68-3
    4. Molecular Formula: C9H8BrFO2
    5. Molecular Weight: 247.062
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 651341-68-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 258.859°C at 760 mmHg
    3. Flash Point: 110.354°C
    4. Appearance: /
    5. Density: 1.504g/cm3
    6. Vapor Pressure: 0.013mmHg at 25°C
    7. Refractive Index: 1.525
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. CAS DataBase Reference: Benzoic acid, 2-broMo-4-fluoro-, ethyl ester(CAS DataBase Reference)
    11. NIST Chemistry Reference: Benzoic acid, 2-broMo-4-fluoro-, ethyl ester(651341-68-3)
    12. EPA Substance Registry System: Benzoic acid, 2-broMo-4-fluoro-, ethyl ester(651341-68-3)
  • 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: 651341-68-3(Hazardous Substances Data)

651341-68-3 Usage

Uses

Used in Pharmaceutical Industry:
Benzoic acid, 2-bromo-4-fluoro-, ethyl ester is used as a precursor in the synthesis of various pharmaceuticals. Its unique structure allows for the development of new drugs with specific therapeutic properties, contributing to the advancement of medicine.
Used in Agrochemical Industry:
Benzoic acid, 2-bromo-4-fluoro-, ethyl ester is also utilized as a precursor in the production of agrochemicals, which are chemicals used in agricultural processes to enhance crop yield and protect plants from pests and diseases.
Used in Organic Synthesis:
Benzoic acid, 2-bromo-4-fluoro-, ethyl ester serves as a valuable intermediate in organic synthesis, enabling the creation of a wide range of organic compounds with diverse applications.
Used in Medical Research:
Benzoic acid, 2-bromo-4-fluoro-, ethyl ester is employed in medical research to study its potential applications and effects on biological systems, aiding in the discovery of new treatments and therapies.
Used in Production of Fine Chemicals:
Benzoic acid, 2-bromo-4-fluoro-, ethyl ester is used in the production of fine chemicals, which are high-purity chemicals used in various industries, including pharmaceuticals, fragrances, and flavors.
It is important to handle Benzoic acid, 2-bromo-4-fluoro-, ethyl ester with care, as it may cause skin and eye irritation upon contact, and inhalation or ingestion of this chemical can be harmful. Proper safety measures should be taken during its use and storage to minimize potential risks.

Check Digit Verification of cas no

The CAS Registry Mumber 651341-68-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 6,5,1,3,4 and 1 respectively; the second part has 2 digits, 6 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 651341-68:
(8*6)+(7*5)+(6*1)+(5*3)+(4*4)+(3*1)+(2*6)+(1*8)=143
143 % 10 = 3
So 651341-68-3 is a valid CAS Registry Number.
InChI:InChI=1/C9H8BrFO2/c1-2-13-9(12)7-4-3-6(11)5-8(7)10/h3-5H,2H2,1H3

651341-68-3SDS

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 ethyl 2-bromo-4-fluorobenzoate

1.2 Other means of identification

Product number -
Other names Benzoic acid,2-bromo-4-fluoro-,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:651341-68-3 SDS

651341-68-3Downstream Products

651341-68-3Relevant articles and documents

METHODS FOR PREPARING SUBSTITUTED DIHYDROINDENE-4-CARBOXAMIDE COMPOUNDS

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Page/Page column 41-42, (2019/11/04)

The invention relates to novel, scalable methods of making substituted bicyclic compounds that are useful to treat and/or prevent HBV and/or HDV infection and related conditions in a subject.

Novel biphenyl derivative and method for preparing same

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Paragraph 0358; 0359; 0360, (2016/10/08)

The present invention provides a novel biphenyl derivative, or an isomer or pharmaceutically acceptable salt thereof, a method for preparing the same, and a pharmaceutical composition containing the same. The novel biphenyl derivative, or the isomer or pharmaceutically acceptable salt thereof according to the present invention acts as a muscarinic M3 receptor antagonist, and thus can be useful for the prevention or treatment of a disease selected from the group consisting of chronic obstructive pulmonary disease, asthma, irritable bowel syndrome, urinary incontinence, rhinitis, spasmodic colitis, chronic cystitis, Alzheimer's disease, senile dementia, glaucoma, schizophrenia, gastroesophogeal reflux disease, cardiac arrhythmia, and hyper salivation syndrome.

Regio- and chemoselective C-H chlorination/bromination of electron-deficient arenes by weak coordination and study of relative directing-group abilities

Sun, Xiuyun,Shan, Gang,Sun, Yonghui,Rao, Yu

supporting information, p. 4440 - 4444 (2013/05/22)

It's all relative: A practical and efficient PdII-catalyzed regio- and chemoselective chlorination/bromination has been developed for the facile synthesis of a broad range of aromatic chlorides. The reaction demonstrates excellent reactivity, good functional-group tolerance, and high yields. A preliminary study was conducted to evaluate relative directing-group abilities of various functionalities. Copyright

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