Cas no 7064-31-5 (5-(4-Bromophenyl)isoxazole)
5-(4-Bromophenyl)isoxazole is a brominated isoxazole derivative widely used as a versatile intermediate in organic synthesis and pharmaceutical research. Its key structural features—a bromophenyl group coupled with an isoxazole ring—make it valuable for constructing complex molecules, particularly in medicinal chemistry and materials science. The bromine substituent enhances reactivity, enabling efficient cross-coupling reactions such as Suzuki-Miyaura or Buchwald-Hartwig transformations. This compound exhibits high purity and stability, ensuring reliable performance in synthetic applications. Its well-defined structure also facilitates studies in heterocyclic chemistry, serving as a scaffold for developing bioactive compounds or functional materials. Suitable for controlled reactions, it is commonly employed in small-scale research and industrial processes.
5-(4-Bromophenyl)isoxazole structure
Product Name:5-(4-Bromophenyl)isoxazole
CAS No:7064-31-5
MF:C9H6BrNO
MW:224.054041385651
MDL:MFCD02183532
CID:85822
PubChem ID:2735608
Update Time:2025-06-07
5-(4-Bromophenyl)isoxazole Chemical and Physical Properties
Names and Identifiers
-
- 5-(4-Bromophenyl)isoxazole
- 5-(4-bromophenyl)-1,2-oxazole
- 5-(p-Bromphenyl)-isoxazol
- Z1258991018
- AVMMSHZGFRWLRI-UHFFFAOYSA-N
- EN300-6479631
- CS-0206552
- 7064-31-5
- MFCD02183532
- 5-(4-Bromophenyl)isoxazole, AldrichCPR
- BP-21248
- AS-58940
- D96073
- AKOS009156647
- FT-0619639
- DTXSID30370829
- J-516216
- SCHEMBL3867296
-
- MDL： MFCD02183532
- Inchi： 1S/C9H6BrNO/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H
- InChI Key： AVMMSHZGFRWLRI-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)C1=CC=NO1
Computed Properties
- Exact Mass: 222.96300
- Monoisotopic Mass: 222.963
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 146
- 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: 2.7
- Topological Polar Surface Area: 26A^2
Experimental Properties
- Color/Form: Not available
- Density: 1.524
- Melting Point: 114 °C
- Boiling Point: 333°Cat760mmHg
- Flash Point: 333°Cat760mmHg
- Refractive Index: 1.708
- PSA: 26.03000
- LogP: 3.10410
- Solubility: Not available
5-(4-Bromophenyl)isoxazole Security Information
- Hazard Statement： Irritant
- Hazard Category Code： 36/37/38-41-37/38-22
- Safety Instruction： S24/25
-
Hazardous Material Identification：
- Safety Term：S24/25
- Risk Phrases：R36/37/38
5-(4-Bromophenyl)isoxazole Customs Data
- HS CODE：2934999090
- Customs Data：
China Customs Code:
2934999090Overview:
2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
5-(4-Bromophenyl)isoxazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM190684-25g |
5-(4-Bromophenyl)isoxazole |
7064-31-5 | 95% | 25g |
$462 | 2021-08-05 | |
| TRC | B698323-100mg |
5-(4-Bromophenyl)isoxazole |
7064-31-5 | 100mg |
$ 64.00 | 2023-04-18 | ||
| TRC | B698323-250mg |
5-(4-Bromophenyl)isoxazole |
7064-31-5 | 250mg |
$ 75.00 | 2023-04-18 | ||
| TRC | B698323-500mg |
5-(4-Bromophenyl)isoxazole |
7064-31-5 | 500mg |
$ 87.00 | 2023-04-18 | ||
| TRC | B698323-1g |
5-(4-Bromophenyl)isoxazole |
7064-31-5 | 1g |
$ 98.00 | 2023-04-18 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 007000-1g |
5-(4-Bromophenyl)isoxazole |
7064-31-5 | 1g |
552CNY | 2021-05-07 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 007000-5g |
5-(4-Bromophenyl)isoxazole |
7064-31-5 | 5g |
2225CNY | 2021-05-07 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 007000-500mg |
5-(4-Bromophenyl)isoxazole |
7064-31-5 | 500mg |
405CNY | 2021-05-07 | ||
| Apollo Scientific | OR9-1g |
5-(4-Bromophenyl)isoxazole |
7064-31-5 | 1g |
￡30.00 | 2025-02-20 | ||
| Chemenu | CM190684-25g |
5-(4-Bromophenyl)isoxazole |
7064-31-5 | 95% | 25g |
$*** | 2023-05-29 |
5-(4-Bromophenyl)isoxazole Related Literature
-
Yan He,Yu-yang Xie,Ying-chun Wang,Xiao-min Bin,Da-chao Hu,Heng-shan Wang,Ying-ming Pan RSC Adv. 2016 6 58988
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