Cas no 586-61-8 (1-Bromo-4-isopropylbenzene)
1-Bromo-4-isopropylbenzene Chemical and Physical Properties
Names and Identifiers
-
- 1-Bromo-4-isopropylbenzene
- 4-Bromocumene~4-Isopropylbromobenzene
- 4-Bromocumene
- 1-bromo-4-propan-2-ylbenzene
- 4-Bromoisopropyl Benzene
- 4-Isopropylbromobenzene
- Cumene, p-bromo-
- 2-(4-Bromophenyl)propane
- 1-bromo-4-(1-methylethyl)benzene
- DS-14382
- AM20060254
- FT-0617895
- O10388
- CS-W019945
- NS00033988
- AKOS005206983
- 4-isopropyl-1-bromobenzene
- UNII-3SYA3DG4GJ
- 1-bromanyl-4-propan-2-yl-benzene
- NSC-97223
- 1-bromo-4-(propan-2-yl)benzene
- DTXSID7060411
- 1-Bromo-4-isopropylbenzene, >=95.0%
- 4-bromo-isopropylbenzene
- p-Bromcumol
- 4-Bromoisopropylbenzene
- 1-bromo-4-isopropyl-benzene
- EINECS 209-577-5
- 4-(1-methylethyl)bromobenzene
- A831969
- Z732229746
- MFCD00039159
- 2-(p-Bromophenyl)propane
- NSC97223
- NSC 97223
- p-Bromocumene
- EN300-65439
- Benzene, 1-bromo-4-(1-methylethyl)-
- AC-18303
- 586-61-8
- p-Bromoisopropylbenzene
- B2045
- 4-iso-propylbromobenzene
- SY002711
- SCHEMBL254340
- 1-bromo4-isopropyl-benzene
- 3SYA3DG4GJ
- W-105371
- 4-Bromoisopropylbenzene,97%
- Cumene, pbromo
- pBromocumene
- DB-019084
- 2(4Bromophenyl)propane
- DTXCID2042438
- Cumene, pbromo (8CI)
- 4Bromocumene
- pBromoisopropylbenzene
- Benzene, 1bromo4(1methylethyl)
- 2(pBromophenyl)propane
- 1-ISOPROPYL-4-BROMOBENZENE
- 4Isopropylbromobenzene
-
- MDL: MFCD00039159
- Inchi: 1S/C9H11Br/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,1-2H3
- InChI Key: MOZHUOIQYVYEPN-UHFFFAOYSA-N
- SMILES: BrC1C=CC(=CC=1)C(C)C
- BRN: 1858096
Computed Properties
- Exact Mass: 198.00400
- Monoisotopic Mass: 198.004
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 90.9
- 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: nothing
- Topological Polar Surface Area: 0A^2
Experimental Properties
- Color/Form: No data available
- Density: 1.286
- Melting Point: -22°C(lit.)
- Boiling Point: 219°C(lit.)
- Flash Point: 94 oC
- Refractive Index: 1.537
- Water Partition Coefficient: Insoluble in water
- PSA: 0.00000
- LogP: 3.57250
1-Bromo-4-isopropylbenzene Security Information
-
Symbol:
- Signal Word:Warning
- Hazard Statement: H302,H411
- Warning Statement: P273
- Hazardous Material transportation number:UN 2810 6.1/PG 3
- WGK Germany:2
- Hazard Category Code: R22;R51/53
- Safety Instruction: S60
-
Hazardous Material Identification:
- HazardClass:IRRITANT
- TSCA:Yes
- Risk Phrases:R22; R51/53
- Safety Term:S60
- Storage Condition:Store at 4°C,-4At ℃Store…Better
1-Bromo-4-isopropylbenzene Customs Data
- HS CODE:2903999090
- Customs Data:
China Customs Code:
2903999090Overview:
2903999090 Other aromatic halogenated 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:
2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%
1-Bromo-4-isopropylbenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 005332-25g |
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586-61-8 | 98% | 25g |
£58.00 | 2022-03-01 | |
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£199.00 | 2022-03-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B102079-100g |
1-Bromo-4-isopropylbenzene |
586-61-8 | 98% | 100g |
¥1724.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B102079-1g |
1-Bromo-4-isopropylbenzene |
586-61-8 | 98% | 1g |
¥40.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B102079-25g |
1-Bromo-4-isopropylbenzene |
586-61-8 | 98% | 25g |
¥478.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B102079-5g |
1-Bromo-4-isopropylbenzene |
586-61-8 | 98% | 5g |
¥122.90 | 2023-09-04 | |
| Alichem | A019087784-500g |
1-Bromo-4-isopropylbenzene |
586-61-8 | 98% | 500g |
$355.35 | 2023-09-01 | |
| Chemenu | CM253828-500g |
1-Bromo-4-isopropylbenzene |
586-61-8 | 95+% | 500g |
$323 | 2021-06-16 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R014737-1g |
1-Bromo-4-isopropylbenzene |
586-61-8 | 97% | 1g |
¥39 | 2024-05-22 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R014737-25g |
1-Bromo-4-isopropylbenzene |
586-61-8 | 97% | 25g |
¥513 | 2024-05-22 |
1-Bromo-4-isopropylbenzene Suppliers
1-Bromo-4-isopropylbenzene Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
Additional information on 1-Bromo-4-isopropylbenzene
Recent Advances in the Application of 1-Bromo-4-isopropylbenzene (CAS: 586-61-8) in Chemical and Biomedical Research
1-Bromo-4-isopropylbenzene (CAS: 586-61-8) is an important intermediate in organic synthesis, particularly in the pharmaceutical and agrochemical industries. Recent studies have highlighted its versatile applications in the synthesis of complex molecules, drug discovery, and material science. This research brief aims to summarize the latest findings related to this compound, focusing on its chemical properties, synthetic utility, and emerging biomedical applications.
In the field of organic synthesis, 1-Bromo-4-isopropylbenzene has been widely used as a building block for the preparation of more complex aromatic compounds. A recent study published in the Journal of Organic Chemistry demonstrated its effectiveness in Suzuki-Miyaura cross-coupling reactions, enabling the synthesis of biaryl derivatives with high yields and excellent selectivity. The electron-donating isopropyl group was found to significantly influence the reactivity of the bromo substituent, making it a valuable tool for constructing diverse molecular architectures.
From a biomedical perspective, researchers have explored the potential of 1-Bromo-4-isopropylbenzene derivatives as bioactive molecules. A 2023 study in Bioorganic & Medicinal Chemistry reported the development of novel antimicrobial agents based on this scaffold. The compounds showed promising activity against drug-resistant bacterial strains, with minimal cytotoxicity to human cells. Molecular docking studies suggested that the isopropyl group plays a crucial role in enhancing binding affinity to target proteins.
In material science, 1-Bromo-4-isopropylbenzene has been utilized as a precursor for the synthesis of liquid crystalline materials. A team at MIT recently published work demonstrating how derivatives of this compound can form stable mesophases with unique optical properties. These materials show potential for applications in display technologies and organic electronics, offering advantages in terms of thermal stability and processability.
The safety profile and environmental impact of 1-Bromo-4-isopropylbenzene have also been subjects of recent investigation. Regulatory agencies have updated their guidelines regarding the handling and disposal of this compound, reflecting new data on its biodegradation pathways and ecotoxicological effects. These developments are particularly relevant for industrial-scale applications where environmental considerations are paramount.
Looking forward, the versatility of 1-Bromo-4-isopropylbenzene continues to inspire innovative research across multiple disciplines. Current projects are exploring its use in metal-organic frameworks (MOFs), as a ligand in catalytic systems, and as a core structure for developing new classes of pharmaceutical agents. The compound's unique combination of reactivity and stability makes it particularly valuable for these cutting-edge applications.
In conclusion, 1-Bromo-4-isopropylbenzene (CAS: 586-61-8) remains a compound of significant interest in chemical and biomedical research. Recent advances have expanded our understanding of its properties and potential applications, while also addressing important safety and environmental considerations. As synthetic methodologies continue to evolve, we can anticipate even more innovative uses for this versatile building block in the coming years.
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