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structure of 586-61-8

4-Bromocumene(CAS 586-61-8)

CAS No.: 586-61-8 Brand: MolBest
M. Ft.: C9H11Br Cat. No: G5075355
M. Wt.: 199.09 MDL: MFCD00039159
Storage: Store in a cool,dry area. Use: For laboratory research use only
HS CODE: 2903999090 UN No.: UN 3082 9 /PG III
Purity Grade Package Stock Price Quantity
97%
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RG 1G In Stock 4 USD
97%
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RG 5G In Stock 12 USD
97%
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RG 25G In Stock 29 USD
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RG 100G In Stock 115 USD
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RG 500G In Stock 694 USD
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Applications of 586-61-8

Industry Application Process
Pharmaceutical Intermediates Key aryl bromide precursor for synthesizing anti-inflammatory agents, antiallergic drugs, and selective β2-adrenergic receptor agonists (e.g., salbutamol analogues) Prepared via bromination—commonly starting from 4-isopropylphenol or 4-isopropylaniline using diazotization–Sandmeyer reaction or direct bromination (Br₂/FeBr₃ or NBS); subsequently employed in palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Heck) to construct C–C bonds
Agrochemical Intermediates Hydrophobic aryl structural unit for synthesizing novel pyrethroid insecticides and plant growth regulators Prepared via Grignard reagent formation or lithium–halogen exchange, followed by reaction with electrophiles such as CO₂, aldehydes, or ketones to introduce functional groups (e.g., carboxy, hydroxymethyl); further modified via acid chloride formation, esterification, or amidation
Organic Synthesis Reagents Aryl bromide used in transition metal-catalyzed C–C and C–N bond formation; widely applied in structural modification of functional materials and liquid crystal monomers Reacted with aryl boronic acids (Suzuki coupling), alkenes (Heck reaction), or amines (Buchwald–Hartwig amination) under catalysis by Pd(PPh₃)₄ or Pd(dppf)Cl₂; alternatively, subjected to low-temperature lithiation with n-butyl lithium followed by electrophilic quenching

Physical and chemical properties of 586-61-8

Boiling Point

219.3±9.0 °C at 760 mmHg

BRN

1858096

Density

1.3±0.1 g/cm3

Exact Mass

198.004410

Flash Point

87.3±13.1 °C

Index of Refraction

1.530

LogP

4.33

Melting Point

-22 °C

Molecular Formula

C9H11Br

Molecular Weight

199.088

Storage condition

Room temperature.

Vapour Pressure

0.2 [mmHg]

Water Solubility

Insoluble in water

Spectrums of 586-61-8

Attention:
1.The NMR spectrum displayed on the page is a pre-sale reference spectrum and may differ from that of the actual received batch.
2.The accompanying documentation will include the NMR spectrum and purity analysis data for the shipped batch.
Physical sample testing spectrum (NMR) of 586-61-8

Retrosynthesis analysis of 586-61-8


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Download SDS of 586-61-8

Pictograms

Signal Word

Warning

Hazard Statements

H302 Harmful if swallowed
H315 Causes skin irritation
H319 Causes serious eye irritation
H411 Toxic to aquatic life with long lasting effects

Safety Data Sheet

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