Cas no 119646-68-3 (3-Bromo-5-tert-butyl-2-hydroxybenzaldehyde)

3-Bromo-5-tert-butyl-2-hydroxybenzaldehyde is a brominated aromatic aldehyde featuring both hydroxyl and tert-butyl substituents, making it a versatile intermediate in organic synthesis. The presence of the electron-withdrawing bromo group and the sterically hindered tert-butyl moiety enhances its reactivity in selective substitution and coupling reactions. The aldehyde functionality allows for further derivatization, while the hydroxyl group provides a site for chelation or additional functionalization. This compound is particularly useful in the synthesis of pharmaceuticals, agrochemicals, and advanced materials due to its structural rigidity and tunable reactivity. Its stability under standard conditions ensures consistent performance in synthetic applications.
3-Bromo-5-tert-butyl-2-hydroxybenzaldehyde structure
119646-68-3 structure
Product Name:3-Bromo-5-tert-butyl-2-hydroxybenzaldehyde
CAS No:119646-68-3
MF:C11H13BrO2
MW:257.123722791672
CID:105660
PubChem ID:7172096
Update Time:2025-05-21

3-Bromo-5-tert-butyl-2-hydroxybenzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-5-(tert-butyl)-2-hydroxybenzaldehyde
    • 3-bromo-5-tert-butyl-2-hydroxybenzaldehyde
    • Benzaldehyde,3-bromo-5-(1,1-dimethylethyl)-2-hydroxy-
    • 3-Bromo-5-tert-butyl-2-hydroxy-benzaldehyde
    • 3-bromo-5-tert-butylsalicylaldehyde
    • 2-Hydroxy-3-broMo-5-tert-butyl-benzaldehyde
    • SCHEMBL875039
    • CS-0329362
    • AKOS000112578
    • 3-bromo-5-tert-butyl-2-hydroxy benzaldehyde
    • 3-Bromo-5-t-butyl-2-hydroxybenZaldehyde
    • Benzaldehyde, 3-bromo-5-(1,1-dimethylethyl)-2-hydroxy-
    • BK-0729
    • MFCD06739522
    • 119646-68-3
    • N-bromotertiarybutylsalicylidene-2-aminopyridine
    • TUTMRJRVZVXKAM-UHFFFAOYSA-N
    • 2-hydroxy-3-bromo-5-(1,1-dimethylethyl)benzaldehyde
    • 3-Bromo-5-tert-butyl-salicylaldehyde
    • DTXSID90428274
    • 3-Bromo-5-tert-butyl-2-hydroxybenzaldehyde
    • MDL: MFCD06739522
    • Inchi: 1S/C11H13BrO2/c1-11(2,3)8-4-7(6-13)10(14)9(12)5-8/h4-6,14H,1-3H3
    • InChI Key: TUTMRJRVZVXKAM-UHFFFAOYSA-N
    • SMILES: BrC1C(=C(C=O)C=C(C=1)C(C)(C)C)O

Computed Properties

  • Exact Mass: 256.01000
  • Monoisotopic Mass: 256.00989g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 210
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.9
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.409
  • Boiling Point: 261.3°C at 760 mmHg
  • Flash Point: 111.9°C
  • Refractive Index: 1.583
  • PSA: 37.30000
  • LogP: 3.26470

3-Bromo-5-tert-butyl-2-hydroxybenzaldehyde Customs Data

  • HS CODE:2913000090
  • Customs Data:

    China Customs Code:

    2913000090

    Overview:

    2913000090 Item2912Other derivatives of the listed products [refer to halogenation,sulfonation,Nitrosative or nitrosative derivatives]. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0%

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3-Bromo-5-tert-butyl-2-hydroxybenzaldehyde Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:119646-68-3)3-BROMO-5-TERT-BUTYL-2-HYDROXY-BENZALDEHYDE
Order Number:sfd1885
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:32
Price ($):discuss personally
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:119646-68-3)3-Bromo-5-tert-butyl-2-hydroxybenzaldehyde
Order Number:A892490
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 11:41
Price ($):292.0

Additional information on 3-Bromo-5-tert-butyl-2-hydroxybenzaldehyde

3-Bromo-5-tert-butyl-2-hydroxybenzaldehyde (CAS No. 119646-68-3)

3-Bromo-5-tert-butyl-2-hydroxybenzaldehyde is a versatile organic compound with the CAS registry number 119646-68-3. This compound belongs to the class of aromatic aldehydes and is characterized by its unique substitution pattern on the benzene ring. The presence of a bromine atom at position 3, a tert-butyl group at position 5, and a hydroxyl group at position 2 makes it a valuable molecule in various chemical and pharmaceutical applications.

The synthesis of 3-Bromo-5-tert-butyl-2-hydroxybenzaldehyde typically involves multi-step reactions, often starting from suitable aromatic precursors. Recent advancements in catalytic methods have enabled more efficient and selective syntheses, reducing production costs and minimizing environmental impact. The compound's stability under various reaction conditions has been extensively studied, making it a reliable building block in organic synthesis.

One of the most significant applications of 3-Bromo-5-tert-butyl-2-hydroxybenzaldehyde is in the field of drug discovery. Its unique structure allows for the exploration of diverse pharmacophores, particularly in anti-inflammatory and anticancer drug development. Recent studies have highlighted its potential as a lead compound for designing molecules that target specific cellular pathways involved in chronic diseases.

In addition to its pharmaceutical applications, 3-Bromo-5-tert-butyl-2-hydroxybenzaldehyde has found utility in materials science. Its ability to form stable complexes with metal ions has led to its use in the synthesis of coordination polymers and metalloorganic frameworks (MOFs). These materials exhibit promising properties for gas storage, catalysis, and sensing applications.

The compound's electronic properties also make it an interesting candidate for optoelectronic applications. Researchers have explored its role as a dopant in organic semiconductors, where it enhances charge transport properties without compromising device stability. This dual functionality underscores its importance as both a chemical building block and a functional material.

From an environmental perspective, the biodegradability and toxicity profiles of 3-Bromo-5-tert-butyl-2-hydroxybenzaldehyde have been assessed under various conditions. These studies are crucial for ensuring sustainable practices in its production and application. Regulatory frameworks governing its use are continuously updated based on new findings, ensuring minimal ecological impact.

In conclusion, 3-Bromo-5-tet-butyl-benzaldehyde (CAS No. 119646-68) remains a pivotal molecule in contemporary chemical research. Its diverse applications across pharmaceuticals, materials science, and electronics highlight its significance as both a synthetic precursor and a functional material. As research progresses, new insights into its properties will undoubtedly expand its utility further.

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Suzhou Senfeida Chemical Co., Ltd
(CAS:119646-68-3)3-BROMO-5-TERT-BUTYL-2-HYDROXY-BENZALDEHYDE
sfd1885
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email
Amadis Chemical Company Limited
(CAS:119646-68-3)3-Bromo-5-tert-butyl-2-hydroxybenzaldehyde
A892490
Purity:99%
Quantity:1g
Price ($):292.0
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