Cas no 72768-95-7 (1-(Bromomethyl)-3-(difluoromethoxy)benzene)
1-(Bromomethyl)-3-(difluoromethoxy)benzene Chemical and Physical Properties
Names and Identifiers
-
- 1-(Bromomethyl)-3-(difluoromethoxy)benzene
- 3-(Difluoromethoxy)benzyl bromide
- 1-BROMOMETHYL-3-(DIFLUOROMETHOXY)BENZENE
- 72768-95-7
- AKOS005257303
- MFCD00236232
- SCHEMBL394184
- 3-(difluoromethoxy)benzyl bromide, AldrichCPR
- CL8715
- 3-Difluoromethoxybenzyl bromide
- 1-bromomethyl-3-difluoromethoxybenzene
- 3-difluoromethoxy-benzyl bromide
- FT-0641422
- 3-DIFLUOROMETHOXYBENYL BROMIDE
- Benzene, 1-(bromomethyl)-3-(difluoromethoxy)-
- DTXSID50371757
- A837612
- AS-46085
- EN300-80752
- DB-006249
- 3-(Difluoromethoxybenyl) bromide
- 3-(difluoromethoxy)benzylbromide
-
- MDL: MFCD00236232
- Inchi: 1S/C8H7BrF2O/c9-5-6-2-1-3-7(4-6)12-8(10)11/h1-4,8H,5H2
- InChI Key: TZYKSTKEVLDYAP-UHFFFAOYSA-N
- SMILES: BrCC1C=CC=C(C=1)OC(F)F
Computed Properties
- Exact Mass: 235.96500
- Monoisotopic Mass: 235.965
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 132
- 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: 9.2A^2
Experimental Properties
- Color/Form: Liquid
- Density: 1.537
- Boiling Point: 76°C/1mm
- Flash Point: 76°C/1mm
- Refractive Index: 1.506
- PSA: 9.23000
- LogP: 3.18290
- Sensitiveness: Lachrymatory
- Solubility: Not determined
1-(Bromomethyl)-3-(difluoromethoxy)benzene Security Information
- Hazard Statement: Corrosive/Lachrymatory
- Hazardous Material transportation number:1760
- Hazard Category Code: 36/37/38-36
- Safety Instruction: S26-S36/37/39
-
Hazardous Material Identification:
- HazardClass:8
- PackingGroup:III
- Packing Group:III
- Hazard Level:8
- Risk Phrases:R36/37/38
- Packing Group:III
- Safety Term:8
1-(Bromomethyl)-3-(difluoromethoxy)benzene Customs Data
- HS CODE:2909309090
- Customs Data:
China Customs Code:
2909309090Overview:
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%
1-(Bromomethyl)-3-(difluoromethoxy)benzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 007862-5g |
3-(Difluoromethoxy)benzyl bromide |
72768-95-7 | 97% | 5g |
£83.00 | 2022-03-01 | |
| Fluorochem | 007862-25g |
3-(Difluoromethoxy)benzyl bromide |
72768-95-7 | 97% | 25g |
£389.00 | 2022-03-01 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X12855-1g |
1-(Bromomethyl)-3-(difluoromethoxy)benzene |
72768-95-7 | 97% | 1g |
¥96.0 | 2024-07-18 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X12855-5g |
1-(Bromomethyl)-3-(difluoromethoxy)benzene |
72768-95-7 | 97% | 5g |
¥386.0 | 2024-07-18 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X12855-25g |
1-(Bromomethyl)-3-(difluoromethoxy)benzene |
72768-95-7 | 97% | 25g |
¥1369.0 | 2024-07-18 | |
| TRC | D447608-500mg |
3-(Difluoromethoxy)benzyl bromide |
72768-95-7 | 500mg |
$64.00 | 2023-05-18 | ||
| TRC | D447608-1g |
3-(Difluoromethoxy)benzyl bromide |
72768-95-7 | 1g |
$69.00 | 2023-05-18 | ||
| TRC | D447608-2.5g |
3-(Difluoromethoxy)benzyl bromide |
72768-95-7 | 2.5g |
$133.00 | 2023-05-18 | ||
| TRC | D447608-5g |
3-(Difluoromethoxy)benzyl bromide |
72768-95-7 | 5g |
$178.00 | 2023-05-18 | ||
| Ambeed | A328293-1g |
1-(Bromomethyl)-3-(difluoromethoxy)benzene |
72768-95-7 | 97% | 1g |
$30.0 | 2025-04-17 |
1-(Bromomethyl)-3-(difluoromethoxy)benzene Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
Additional information on 1-(Bromomethyl)-3-(difluoromethoxy)benzene
Recent Advances in the Application of 1-(Bromomethyl)-3-(difluoromethoxy)benzene (CAS: 72768-95-7) in Chemical Biology and Pharmaceutical Research
1-(Bromomethyl)-3-(difluoromethoxy)benzene (CAS: 72768-95-7) is a key intermediate in the synthesis of various biologically active compounds, particularly in the development of pharmaceuticals and agrochemicals. Recent studies have highlighted its utility in the construction of difluoromethoxy-containing molecules, which are increasingly important due to their enhanced metabolic stability and bioavailability. This research brief consolidates the latest findings on the applications, synthetic methodologies, and biological implications of this compound, providing valuable insights for researchers in the field.
A significant focus of recent research has been on the role of 1-(Bromomethyl)-3-(difluoromethoxy)benzene in the synthesis of novel kinase inhibitors. Kinases are critical targets in cancer therapy, and the introduction of difluoromethoxy groups has been shown to improve the selectivity and potency of these inhibitors. For instance, a 2023 study published in the Journal of Medicinal Chemistry demonstrated the compound's efficacy in the synthesis of EGFR inhibitors, with the difluoromethoxy moiety contributing to enhanced binding affinity and reduced off-target effects. The study utilized advanced computational modeling and X-ray crystallography to validate these findings.
In addition to its pharmaceutical applications, 1-(Bromomethyl)-3-(difluoromethoxy)benzene has been employed in agrochemical research. A recent report in ACS Agricultural Science & Technology detailed its use in the development of next-generation herbicides. The difluoromethoxy group was found to confer improved herbicidal activity and environmental stability, making it a promising candidate for sustainable agriculture. The study also explored the compound's metabolic pathways in plants, providing a foundation for future optimization.
From a synthetic chemistry perspective, advancements in the preparation of 1-(Bromomethyl)-3-(difluoromethoxy)benzene have been notable. A 2022 publication in Organic Letters introduced a novel, high-yield synthetic route using palladium-catalyzed cross-coupling reactions. This method not only improved the scalability of the compound but also reduced the reliance on hazardous reagents, aligning with the principles of green chemistry. Researchers emphasized the potential for this methodology to be adapted for other difluoromethoxy-containing intermediates.
Looking ahead, the versatility of 1-(Bromomethyl)-3-(difluoromethoxy)benzene continues to inspire innovation across multiple domains. Ongoing studies are exploring its utility in PET (positron emission tomography) tracer development, where the difluoromethoxy group's unique properties could enhance imaging resolution. Furthermore, collaborations between academia and industry are expected to accelerate the translation of these findings into practical applications, bridging the gap between basic research and clinical or agricultural use.
In conclusion, 1-(Bromomethyl)-3-(difluoromethoxy)benzene (CAS: 72768-95-7) remains a pivotal compound in chemical biology and pharmaceutical research. Its diverse applications, coupled with recent synthetic and methodological advancements, underscore its importance in the development of next-generation therapeutics and agrochemicals. Researchers are encouraged to leverage these insights to drive further innovation in their respective fields.
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