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METHYL 3,5-DIBROMO-2-HYDROXYBENZOATE is a white crystalline powder that is a derivative of benzoic acid with two bromine atoms and a hydroxyl group. It is a halogenated aromatic compound that is synthesized through the halogenation of phenol derivatives.

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  • 21702-79-4 Structure
  • Basic information

    1. Product Name: METHYL 3,5-DIBROMO-2-HYDROXYBENZOATE
    2. Synonyms: TIMTEC-BB SBB001273;RARECHEM AL BF 0030;METHYL 3,5-DIBROMOSALICYLATE;METHYL 3,5-DIBROMO-2-HYDROXYBENZOATE;3,5-Dibromo-2-hydroxybenzoic acid methyl ester;3,5-Dibromosalicylic acid methyl ester;Methyl 3,5-dibromo-2-hydroxybenzoate,99%;Benzoic acid, 3,5-dibromo-2-hydroxy-, methyl ester
    3. CAS NO:21702-79-4
    4. Molecular Formula: C8H6Br2O3
    5. Molecular Weight: 309.94
    6. EINECS: N/A
    7. Product Categories: Aromatic Esters;Acids & Esters;Bromine Compounds;Phenols
    8. Mol File: 21702-79-4.mol
  • Chemical Properties

    1. Melting Point: 146-156 °C
    2. Boiling Point: 282.3 °C at 760 mmHg
    3. Flash Point: 124.5 °C
    4. Appearance: White crystalline powder
    5. Density: 1.9544 (rough estimate)
    6. Vapor Pressure: 0.00199mmHg at 25°C
    7. Refractive Index: 1.4947 (estimate)
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: METHYL 3,5-DIBROMO-2-HYDROXYBENZOATE(CAS DataBase Reference)
    11. NIST Chemistry Reference: METHYL 3,5-DIBROMO-2-HYDROXYBENZOATE(21702-79-4)
    12. EPA Substance Registry System: METHYL 3,5-DIBROMO-2-HYDROXYBENZOATE(21702-79-4)
  • Safety Data

    1. Hazard Codes: T
    2. Statements: 36/37/38-25
    3. Safety Statements: 24/25-45
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 21702-79-4(Hazardous Substances Data)

21702-79-4 Usage

Uses

Used in Chemical Synthesis:
METHYL 3,5-DIBROMO-2-HYDROXYBENZOATE is used as an intermediate in the preparation of Haloarenes, which are important compounds in the chemical industry. These Haloarenes have a wide range of applications, including pharmaceuticals, agrochemicals, and materials science.
Used in Pharmaceutical Industry:
METHYL 3,5-DIBROMO-2-HYDROXYBENZOATE is used as a building block for the synthesis of various pharmaceutical compounds. Its unique structure allows for the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical industry, METHYL 3,5-DIBROMO-2-HYDROXYBENZOATE is used as a starting material for the synthesis of various pesticides and other agrochemical products. Its halogenated structure contributes to the development of more effective and targeted pest control agents.
Used in Materials Science:
METHYL 3,5-DIBROMO-2-HYDROXYBENZOATE is also used in the development of new materials with specific properties, such as flame retardants, polymer additives, and specialty coatings. Its chemical structure provides unique characteristics that can enhance the performance of these materials.

Check Digit Verification of cas no

The CAS Registry Mumber 21702-79-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,1,7,0 and 2 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 21702-79:
(7*2)+(6*1)+(5*7)+(4*0)+(3*2)+(2*7)+(1*9)=84
84 % 10 = 4
So 21702-79-4 is a valid CAS Registry Number.
InChI:InChI=1/C8H6Br2O3/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3,11H,1H3

21702-79-4 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
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  • Detail
  • Alfa Aesar

  • (B25077)  Methyl 3,5-dibromo-2-hydroxybenzoate, 98%   

  • 21702-79-4

  • 25g

  • 542.0CNY

  • Detail
  • Alfa Aesar

  • (B25077)  Methyl 3,5-dibromo-2-hydroxybenzoate, 98%   

  • 21702-79-4

  • 100g

  • 1733.0CNY

  • Detail
  • Alfa Aesar

  • (B25077)  Methyl 3,5-dibromo-2-hydroxybenzoate, 98%   

  • 21702-79-4

  • 500g

  • 7084.0CNY

  • Detail

21702-79-4SDS

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 METHYL 3,5-DIBROMO-2-HYDROXYBENZOATE

1.2 Other means of identification

Product number -
Other names 3,5-Dibrom-2-hydroxy-benzoesaeure-methylester

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:21702-79-4 SDS

21702-79-4Relevant articles and documents

A convenient and efficient H2SO4-promoted regioselective monobromination of phenol derivatives using N-bromosuccinimide

Wu, Yong-Qi,Lu, Hai-Jia,Zhao, Wen-Ting,Zhao, Hong-Yi,Lin, Zi-Yun,Zhang, Dong-Feng,Huang, Hai-Hong

supporting information, p. 813 - 822 (2020/02/15)

A convenient, rapid H2SO4-promoted regioselective monobromination reaction with N-bromosuccinimide was developed. The desired para-monobrominated or ortho-monobrominated products of phenol derivatives were obtained in good to excellent yields with high selectivity. Regioselective chlorination and iodination were also achieved in the presence of H2SO4 using N-chlorosuccinimide and N-iodosuccinimide, respectively.

Enantioselective bromolactonization of conjugated (2)-enynes

Zhang, Wei,Zheng, Suqing,Liu, Na,Werness, Jenny B.,Guzei, Llia A.,Tang, Weiplng

supporting information; experimental part, p. 3664 - 3665 (2010/05/15)

"Chemical equation presented" A catalytic enantioselective syn-1,4-bromolactonization of conjugated (Z)-enynes was reported. Diastereomeric ratios >20:1 and up to 99% enantiomeric excesses were observed. Di-, tri-, and tetra-substituted bromoallenes were prepared together with lactone heterocycles efficiently and stereoselectively. Preliminary investigations suggest that the chiral catalyst may serve as a bifunctional reagent by interacting with both a carboxylic acid nucleophile and NBS electrophile.

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