Cas no 60876-70-2 (1-Bromo-4-tert-butoxybenzene)

1-Bromo-4-tert-butoxybenzene is a brominated aromatic compound featuring a tert-butoxy substituent at the para position. This structure imparts stability and steric hindrance, making it a valuable intermediate in organic synthesis, particularly in cross-coupling reactions such as Suzuki-Miyaura and Buchwald-Hartwig couplings. The tert-butoxy group enhances solubility in nonpolar solvents while providing a protective function for phenolic derivatives. Its well-defined reactivity and robustness under various conditions make it suitable for pharmaceutical and agrochemical applications. The compound is typically characterized by high purity and consistent performance, ensuring reliable results in complex synthetic pathways. Proper handling and storage are recommended due to its sensitivity to light and moisture.
1-Bromo-4-tert-butoxybenzene structure
1-Bromo-4-tert-butoxybenzene structure
Product Name:1-Bromo-4-tert-butoxybenzene
CAS No:60876-70-2
MF:C10H13BrO
MW:229.113622426987
MDL:MFCD00792676
CID:90079
PubChem ID:2763959
Update Time:2025-11-06

1-Bromo-4-tert-butoxybenzene Chemical and Physical Properties

Names and Identifiers

    • 4-tert-Butoxybromobenzene
    • 1-Bromo-4-tert-butoxybenzene
    • 1-Bromo-4-(tert-butoxy)benzene
    • 1-bromo-4-[(2-methylpropan-2-yl)oxy]benzene
    • p-Bromophenyl tert-butyl ether
    • p-tert-Butoxybromobenzene
    • N,.alpha.,1,3,5-Pentamethyl-1H-pyrazole-4-methanamine
    • 4-bromophenyl tert-butyl ether
    • 4-(-tertbutoxy)bromobenzene
    • 1-(tert-butoxy)-4-bromobenzene
    • QIWQHUCUWNGYDZ-UHFFFAOYSA-N
    • DTXSID20377221
    • CS-W014193
    • Z1203159865
    • EN300-136445
    • 1-bromanyl-4-[(2-methylpropan-2-yl)oxy]benzene
    • 60876-70-2
    • 4T-0017
    • AKOS005070439
    • J-504435
    • MFCD00792676
    • FT-0640717
    • SY151943
    • 1-Bromo-4-tert-butoxy-benzene
    • A832936
    • InChI=1/C10H13BrO/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7H,1-3H
    • 4-Bromo-t-butoxybenzene
    • SCHEMBL1006518
    • 1-Bromo-4-tert-butoxybenzene, AldrichCPR
    • DB-053729
    • MDL： MFCD00792676
    • Inchi： 1S/C10H13BrO/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7H,1-3H3
    • InChI Key： QIWQHUCUWNGYDZ-UHFFFAOYSA-N
    • SMILES： BrC1C=CC(=CC=1)OC(C)(C)C
    • BRN： 2516411

Computed Properties

  • Exact Mass: 228.01500
  • Monoisotopic Mass: 228.015
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 131
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.6
  • Topological Polar Surface Area: 9.2A^2

Experimental Properties

  • Color/Form: colorless liquid
  • Density: 1.278±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 36-37 oC
  • Boiling Point: 63-65 oC (0.4 Torr)
  • Flash Point: 110.6±5.8 oC,
  • Refractive Index: 1.528 (589.3 nm 20 oC)
  • Solubility: Very slightly soluble (0.1 g/l) (25 o C),
  • Water Partition Coefficient: Not miscible or difficult to mix in water.
  • PSA: 9.23000
  • LogP: 3.62640
  • Vapor Pressure: 1.7±0.1 mmHg at 25°C

1-Bromo-4-tert-butoxybenzene Security Information

  • Signal Word：warning
  • Hazard Statement： Irritant
  • Warning Statement： P264+P280+P305+P351+P338+P337+P313
  • Hazardous Material transportation number：UN 3077 9 / PGIII
  • Hazard Category Code： R22;R50/53
  • Safety Instruction： S26-S36
  • Hazardous Material Identification： Xi
  • Safety Term：S26;S36
  • HazardClass：IRRITANT
  • Risk Phrases：R36/38
  • Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

1-Bromo-4-tert-butoxybenzene Customs Data

  • HS CODE：2909309090
  • Customs Data：

    China Customs Code:

    2909309090

    Overview:

    2909309090 Other aromatic ethers and their halogenated derivatives\sulfonation\Nitrated derivative(Including nitrosative derivatives).Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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1-Bromo-4-tert-butoxybenzene Production Method

1-Bromo-4-tert-butoxybenzene Suppliers

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(CAS:60876-70-2)2-Nitro-4-thiocyanatoaniline
Order Number:LE276
Stock Status:in Stock
Quantity:10G;1KG
Purity:99%
Pricing Information Last Updated:Monday, 1 June 2026 10:43
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1-Bromo-4-tert-butoxybenzene Related Literature

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Additional information on 1-Bromo-4-tert-butoxybenzene

Comprehensive Guide to 1-Bromo-4-tert-butoxybenzene (CAS No. 60876-70-2): Properties, Applications, and Industry Insights

1-Bromo-4-tert-butoxybenzene (CAS No. 60876-70-2) is a versatile aromatic compound widely utilized in organic synthesis and pharmaceutical research. Known for its brominated benzene core and tert-butoxy functional group, this chemical serves as a critical intermediate in the production of advanced materials, agrochemicals, and specialty chemicals. With the growing demand for high-purity intermediates in drug discovery, 1-Bromo-4-tert-butoxybenzene has gained significant attention from researchers and manufacturers alike.

The compound’s molecular structure combines a bromo substituent at the para position of a benzene ring with a bulky tert-butoxy group, making it a valuable building block for cross-coupling reactions such as Suzuki-Miyaura and Buchwald-Hartwig animations. Recent studies highlight its role in synthesizing liquid crystal materials and OLED precursors, aligning with the surge in demand for flexible display technologies. Industry reports also emphasize its application in developing photoactive compounds for solar cell research, a hot topic in renewable energy innovations.

From a regulatory perspective, 1-Bromo-4-tert-butoxybenzene is classified as a non-hazardous substance under standard handling conditions, though proper lab protocols are recommended. Its stability under inert atmospheres and compatibility with common organic solvents like THF and dichloromethane make it a preferred choice for multistep synthetic routes. Researchers frequently search for "synthesis optimization of bromo-tert-butoxybenzene derivatives" or "scalable production methods for CAS 60876-70-2," reflecting the compound’s industrial relevance.

In the pharmaceutical sector, this compound is pivotal for constructing biaryl ether scaffolds, a key motif in kinase inhibitors and antiviral agents. The rise of targeted drug delivery systems has further amplified interest in its derivatization potential. Analytical techniques such as HPLC and GC-MS are commonly employed to verify its purity, with commercial grades typically exceeding 98%. Environmental considerations also drive innovation, as greener synthetic routes using catalytic bromination methods are being explored to reduce waste.

Market trends indicate steady growth for 1-Bromo-4-tert-butoxybenzene, particularly in Asia-Pacific regions where electronic material and pharmaceutical manufacturing are expanding. Suppliers often highlight its low moisture sensitivity and long shelf life as competitive advantages. For those seeking alternatives, related compounds like 4-tert-butoxyphenylboronic acid are occasionally compared, though the bromo variant remains unmatched for certain electrophilic aromatic substitutions.

In conclusion, 1-Bromo-4-tert-butoxybenzene (CAS No. 60876-70-2) exemplifies the intersection of academic research and industrial application. Its adaptability in nanomaterial engineering and medicinal chemistry ensures its continued relevance. As sustainable chemistry gains traction, future developments may focus on atom-efficient protocols and recyclable catalysts to enhance its synthetic utility further.

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