Cas no 169547-67-5 (3-(4-(Bromomethyl)phenyl)isoxazole)
3-(4-(Bromomethyl)phenyl)isoxazole is a brominated aromatic isoxazole derivative, primarily employed as a versatile intermediate in organic synthesis and pharmaceutical research. Its key structural features—a reactive bromomethyl group and an isoxazole ring—make it valuable for further functionalization, including nucleophilic substitution or cross-coupling reactions. The compound is particularly useful in the development of bioactive molecules, agrochemicals, and materials science applications due to its ability to serve as a building block for more complex architectures. Its stability under standard handling conditions and compatibility with a range of reaction conditions enhance its utility in synthetic workflows. Proper storage in a cool, dry environment is recommended to maintain reactivity.
169547-67-5 structure
Product Name:3-(4-(Bromomethyl)phenyl)isoxazole
CAS No:169547-67-5
MF:C10H8BrNO
MW:238.08062171936
MDL:MFCD21605342
CID:1032319
PubChem ID:18663411
Update Time:2025-06-07
3-(4-(Bromomethyl)phenyl)isoxazole Chemical and Physical Properties
Names and Identifiers
-
- 3-(4-(Bromomethyl)phenyl)isoxazole
- 3-[4-(Bromomethyl)phenyl]-1,2-oxazole
- AK122787
- BCOYXVWQKCZGFL-UHFFFAOYSA-N
- FCH1564378
- AX8246965
- ST2417362
- Z4271
- DTXSID40595389
- AKOS016012053
- C73263
- 169547-67-5
- DB-338878
- SCHEMBL4801309
- DS-6735
-
- MDL： MFCD21605342
- Inchi： 1S/C10H8BrNO/c11-7-8-1-3-9(4-2-8)10-5-6-13-12-10/h1-6H,7H2
- InChI Key： BCOYXVWQKCZGFL-UHFFFAOYSA-N
- SMILES： BrCC1C=CC(C2C=CON=2)=CC=1
Computed Properties
- Exact Mass: 236.97894
- Monoisotopic Mass: 236.97893g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 157
- 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
- Topological Polar Surface Area: 26
- XLogP3: 2.6
Experimental Properties
- Boiling Point: 354.2±30.0°C at 760 mmHg
- PSA: 26.03
3-(4-(Bromomethyl)phenyl)isoxazole Security Information
- Signal Word：Warning
- Hazard Statement： H302-H315-H319-H335
- Warning Statement： P261-P305+P351+P338
- Storage Condition：Inert atmosphere,2-8°C
3-(4-(Bromomethyl)phenyl)isoxazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B994038-10mg |
3-(4-(Bromomethyl)phenyl)isoxazole |
169547-67-5 | 10mg |
$ 50.00 | 2022-06-06 | ||
| TRC | B994038-50mg |
3-(4-(Bromomethyl)phenyl)isoxazole |
169547-67-5 | 50mg |
$ 185.00 | 2022-06-06 | ||
| TRC | B994038-100mg |
3-(4-(Bromomethyl)phenyl)isoxazole |
169547-67-5 | 100mg |
$ 295.00 | 2022-06-06 | ||
| Chemenu | CM127812-1g |
3-(4-(bromomethyl)phenyl)isoxazole |
169547-67-5 | 98% | 1g |
$310 | 2021-08-05 | |
| Ambeed | A115807-100mg |
3-(4-(Bromomethyl)phenyl)isoxazole |
169547-67-5 | 98% | 100mg |
$132.0 | 2024-08-03 | |
| Ambeed | A115807-250mg |
3-(4-(Bromomethyl)phenyl)isoxazole |
169547-67-5 | 98% | 250mg |
$225.0 | 2024-08-03 | |
| Ambeed | A115807-1g |
3-(4-(Bromomethyl)phenyl)isoxazole |
169547-67-5 | 98% | 1g |
$605.0 | 2024-08-03 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-EG034-200mg |
3-(4-(Bromomethyl)phenyl)isoxazole |
169547-67-5 | 98% | 200mg |
914.0CNY | 2021-07-14 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-EG034-50mg |
3-(4-(Bromomethyl)phenyl)isoxazole |
169547-67-5 | 98% | 50mg |
366.0CNY | 2021-07-14 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-EG034-1g |
3-(4-(Bromomethyl)phenyl)isoxazole |
169547-67-5 | 98% | 1g |
3581CNY | 2021-05-07 |
3-(4-(Bromomethyl)phenyl)isoxazole Related Literature
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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