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5-BROMO-BENZOOXAZOLE-2-CARBOXYLIC ACID METHYL ESTER, with the molecular formula C9H6BrNO3, is a methyl ester derivative of 5-bromo-benzooxazole-2-carboxylic acid. This chemical compound is characterized by its white to off-white solid appearance and its sparing solubility in water and most organic solvents. It plays a significant role in the synthesis of pharmaceutical and agrochemical products, making it a valuable intermediate in the production of various organic compounds.

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  • 954239-61-3 Structure
  • Basic information

    1. Product Name: 5-BROMO-BENZOOXAZOLE-2-CARBOXYLIC ACID METHYL ESTER
    2. Synonyms: 5-BROMO-BENZOOXAZOLE-2-CARBOXYLIC ACID METHYL ESTER;2-Benzoxazolecarboxylic acid, 5-bromo-, methyl ester;Methyl 5-broMobenzo[d]oxazole-2-carboxylate;5-Bromo-2-benzoxazolecarboxylic acid methyl ester
    3. CAS NO:954239-61-3
    4. Molecular Formula: C9H6BrNO3
    5. Molecular Weight: 256.05
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 954239-61-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: Sealed in dry,Room Temperature
    8. Solubility: N/A
    9. CAS DataBase Reference: 5-BROMO-BENZOOXAZOLE-2-CARBOXYLIC ACID METHYL ESTER(CAS DataBase Reference)
    10. NIST Chemistry Reference: 5-BROMO-BENZOOXAZOLE-2-CARBOXYLIC ACID METHYL ESTER(954239-61-3)
    11. EPA Substance Registry System: 5-BROMO-BENZOOXAZOLE-2-CARBOXYLIC ACID METHYL ESTER(954239-61-3)
  • 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: 954239-61-3(Hazardous Substances Data)

954239-61-3 Usage

Uses

Used in Pharmaceutical Industry:
5-BROMO-BENZOOXAZOLE-2-CARBOXYLIC ACID METHYL ESTER is used as a key intermediate in the synthesis of pharmaceutical compounds for its ability to contribute to the development of new drugs. Its unique chemical structure allows for the creation of molecules with specific therapeutic properties, enhancing the range of available treatments for various medical conditions.
Used in Agrochemical Industry:
In the agrochemical sector, 5-BROMO-BENZOOXAZOLE-2-CARBOXYLIC ACID METHYL ESTER is utilized as a precursor in the production of agrochemicals, such as pesticides and herbicides. Its incorporation into these products helps improve their effectiveness in controlling pests and weeds, thereby contributing to increased crop yields and agricultural productivity.
Used in Research and Development:
5-BROMO-BENZOOXAZOLE-2-CARBOXYLIC ACID METHYL ESTER is also employed as a research compound in the development of new organic compounds and materials. Its unique properties make it a valuable tool for scientists and researchers working on the discovery and optimization of novel chemical entities with potential applications in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 954239-61-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,5,4,2,3 and 9 respectively; the second part has 2 digits, 6 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 954239-61:
(8*9)+(7*5)+(6*4)+(5*2)+(4*3)+(3*9)+(2*6)+(1*1)=193
193 % 10 = 3
So 954239-61-3 is a valid CAS Registry Number.

954239-61-3SDS

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 Methyl 5-bromobenzo[d]oxazole-2-carboxylate

1.2 Other means of identification

Product number -
Other names methyl 5-bromo-1,3-benzoxazole-2-carboxylate

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:954239-61-3 SDS

954239-61-3Downstream Products

954239-61-3Relevant articles and documents

Binuclear molybdenum alkoxide as the versatile catalyst for the conversion of carbon dioxide

Chen, Jing-Huo,Deng, Cheng-Hua,Fang, Sheng,Ma, Jian-Gong,Cheng, Peng

, p. 989 - 996 (2018/03/13)

The triply bonded dimolybdenum compound, Mo2(OtBu)6 (1), was investigated as a homogeneous catalyst for the conversion of CO2. The compound 1 acted as a rare example of a versatile catalyst with an impressive ability to transform CO2 into various valuable products, including propiolic acids, cyclic carbonates, and benzo[d]thiazole- and benzo[d]oxazolecarboxylic acids, in high yields with short reaction times and excellent selectivity at ambient pressure and low temperatures (25-75 °C). This is the first report of the application of a metal-metal bond-containing species in the catalytic conversion of CO2.

Method of synthesizing heteroaromatic formic ether compound

-

Paragraph 0035, (2017/08/19)

The invention discloses a method of synthesizing a heteroaromatic formic ether compound. By taking midazolium chloride salt of which the molecular formula is [(ArN=C(CH3)NCH2CH2NCH2C6H5)CH]Cl (wherein Ar is equal to 2,6-bi-CH(CH3)2-C6H3) as a catalyst, the heteroaromatic formic ether compound is synthesized through carboxylation reaction of a heteroaromatic compound and carbon dioxide at atmospheric pressure. The heteroaromatic formic ether compound is a first example that is catalyzed by imidazolium salt and prepared through the carboxylation reaction of the heteroaromatic compound and carbon dioxide. Compared with the prior art, the catalyst is green, the synthesis is easier, reaction conditions are mild, and the heteroaromatic formic ether compound has equivalent or better catalytic activity and functional group tolerance.

Direct C-H carboxylation with carbon dioxide using 1,2,3-triazol-5-ylidene copper(I) complexes

Inomata, Hiroshi,Ogata, Kenichi,Fukuzawa, Shin-Ichi,Hou, Zhaomin

supporting information; experimental part, p. 3986 - 3989 (2012/09/10)

1,2,3-Triazol-5-ylidene copper(I) complexes (tzNHC-Cu) efficiently catalyzed the direct C-H carboxylation of benzoxazole and benzothiazole derivatives with CO2 to give the corresponding esters in excellent yields after treatment with alkyl iodi

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