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  • 537013-51-7 Structure
  • Basic information

    1. Product Name: 4-BROMO-2,6-DIFLUOROBENZYLALDEHYDE
    2. Synonyms: 4-BROMO-2,6-DIFLUOROBENZALDEHYDE;4-BROMO-2,6-DIFLUOROBENZYLALDEHYDE;Benzaldehyde, 4-broMo-2,6-difluoro-;4-Bromo-2,6-difluorobenzaldehyde 96%
    3. CAS NO:537013-51-7
    4. Molecular Formula: C7H3BrF2O
    5. Molecular Weight: 221
    6. EINECS: 1308068-626-2
    7. Product Categories: Benzaldehyde
    8. Mol File: 537013-51-7.mol
    9. Article Data: 29
  • Chemical Properties

    1. Melting Point: 76-79°C
    2. Boiling Point: 231.4±40.0℃ (760 Torr)
    3. Flash Point: 93.7±27.3℃
    4. Appearance: /
    5. Density: 1.758±0.06 g/cm3 (20 ºC 760 Torr)
    6. Vapor Pressure: 0.063mmHg at 25°C
    7. Refractive Index: 1.561
    8. Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. Sensitive: Air Sensitive
    11. CAS DataBase Reference: 4-BROMO-2,6-DIFLUOROBENZYLALDEHYDE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 4-BROMO-2,6-DIFLUOROBENZYLALDEHYDE(537013-51-7)
    13. EPA Substance Registry System: 4-BROMO-2,6-DIFLUOROBENZYLALDEHYDE(537013-51-7)
  • Safety Data

    1. Hazard Codes: Xi,T
    2. Statements: 25
    3. Safety Statements: 45
    4. RIDADR: 2811
    5. WGK Germany: 3
    6. RTECS:
    7. HazardClass: 6.1
    8. PackingGroup:
    9. Hazardous Substances Data: 537013-51-7(Hazardous Substances Data)

537013-51-7 Usage

Description

4-BROMO-2,6-DIFLUOROBENZYLALDEHYDE is an organic compound that serves as a crucial intermediate in the synthesis of various pharmaceuticals and organic compounds. It is characterized by its unique molecular structure, which features a benzene ring with a bromine atom at the 4th position, and two fluorine atoms at the 2nd and 6th positions. This structure endows the compound with specific chemical properties that make it valuable in a range of applications.

Uses

Used in Organic Synthesis:
4-BROMO-2,6-DIFLUOROBENZYLALDEHYDE is used as a key intermediate in the organic synthesis of various compounds. Its unique structure allows for a wide range of chemical reactions, making it a versatile building block for the creation of new molecules with diverse properties and applications.
Used in Pharmaceutical Industry:
4-BROMO-2,6-DIFLUOROBENZYLALDEHYDE is used as a pharmaceutical intermediate for the development of new drugs. Its specific chemical properties enable the creation of novel drug candidates with potential therapeutic benefits. 4-BROMO-2,6-DIFLUOROBENZYLALDEHYDE plays a crucial role in the research and development of pharmaceuticals, contributing to the advancement of medical treatments.
Used in Laboratory Research and Development:
4-BROMO-2,6-DIFLUOROBENZYLALDEHYDE is employed in laboratory research and development as a valuable tool for exploring new chemical reactions and synthesizing novel compounds. Its unique structure and reactivity make it an essential component in the quest for new discoveries and innovations in the fields of chemistry and pharmaceuticals.
Used in Chemical Production Processes:
4-BROMO-2,6-DIFLUOROBENZYLALDEHYDE is utilized in chemical production processes as a vital intermediate for the synthesis of various chemicals and materials. Its unique properties and reactivity contribute to the efficient and cost-effective production of a wide range of products, from pharmaceuticals to specialty chemicals.

Synthesis

n-Butyl lithium (0.64ml, 1.2 mmol) was added drop wise to a solution of diisopropyl amine (0.25 mL, 1.5 mmol) in dry THF at -78°C under nitrogen atmosphere over a period of 5 minutes. The reaction mixture was stirred at -20°C for 30 minutes. To this was added 5-bromo-benzo[b]thiophene (200 mg, 0.938 mmol) in dry THF at -78°C, continued stirring for a further 30 minutes at -78°C, followed by the addition of N-chlorosuccinamide (225 mg, 1.68 mmol) in dry THF at -78°C. The resulting mixture was stirred at room temperature for 2 hours. The reaction was monitored by TLC (100% hexane). The reaction mixture was partitioned between ethyl acetate and saturated ammonium chloride. The organic layer was dried over sodium sulfate and concentrated to afford the crude product. Purification by column chromatography on silica gel (100% hexane) afforded the product. Preparation of Intermediate 4-Bromo-2,6-difluoro-benzaldehyde (I-26a): Using analogous reaction condition and reagents as described in Example 20 for the preparation of 1-20a above, 1-bromo-3,5-difluoro-benzene (2 g, 2.10.36 mmol) in THF was reacted with DMF (1.43 g,19.68 mmol), n-butyl lithium (1.56 ml, 12.4 mmol) and diisopropyl amine (0.57 mL, 15.5 mmol) to afford crude product. Purification by column chromatography on silica gel (2% ethyl acetate in hexane) afforded 1.35 g of the product (61% yield). 1H NMR (CDCl3, 300 MHz): δ 11.5-11.0 (s, 1H), 7.4-7.2 (dd, 2H).

Check Digit Verification of cas no

The CAS Registry Mumber 537013-51-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 5,3,7,0,1 and 3 respectively; the second part has 2 digits, 5 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 537013-51:
(8*5)+(7*3)+(6*7)+(5*0)+(4*1)+(3*3)+(2*5)+(1*1)=127
127 % 10 = 7
So 537013-51-7 is a valid CAS Registry Number.
InChI:InChI=1/C7H3BrF2O/c8-4-1-6(9)5(3-11)7(10)2-4/h1-3H

537013-51-7 Well-known Company Product Price

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  • Alfa Aesar

  • (H27737)  4-Bromo-2,6-difluorobenzaldehyde, 95%   

  • 537013-51-7

  • 250mg

  • 1168.0CNY

  • Detail
  • Alfa Aesar

  • (H27737)  4-Bromo-2,6-difluorobenzaldehyde, 95%   

  • 537013-51-7

  • 1g

  • 2931.0CNY

  • Detail

537013-51-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Bromo-2,6-Difluorobenzylaldehyde

1.2 Other means of identification

Product number -
Other names 4-BroMo-2,6-difluorobenzaldehyde

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:537013-51-7 SDS

537013-51-7Relevant articles and documents

BRD9 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE

-

Page/Page column 247; 248, (2021/04/01)

The disclosure provides BRD9 bifunctional compounds of Formula (A) or a pharmaceutically acceptable salt, hydrate, solvate, prodrug, stereoisomer, or tautomer thereof, to their preparation, to pharmaceutical compositions comprising them, and to their use in the treatment of diseases and disorders mediated by a bromodomain-containing protein, such as bromodoma in-containing protein 9 (BRD9)

HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF

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Paragraph 0416-0418, (2021/10/07)

Disclosed by the invention is a heterocyclic compound, an intermediate, and a preparation method therefor and an application thereof. Provided by the invention are a heterocyclic compound as shown in formula I, and a stereoisomer, a geometric isomer, a tautomer, a nitrogen oxide, a hydrate, a solvate, a metabolite, an ester, a pharmaceutically acceptable salt or a prodrug thereof. The heterocyclic compound hasa high P2X3 antagonistic activity, and has good selectivity, low toxicity, good metabolic stability and little taste influence.

Inhibiting effect of trisubstituted pyrimidine derivative on protein kinase

-

Paragraph 0020-0023, (2019/09/14)

The invention discloses a trisubstituted pyrimidine derivative with a structure shown as general formula (I), and pharmaceutically acceptable salt, ester or solvent compound thereof. The derivative isa protein kinase inhibitor, can be used individually or in combination with other drugs for cancer treatment, and has tremendous clinical application value. General formula (I) is shown as the specification.

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