Cas no 124953-60-2 (5-Isoxazolecarbonylchloride, 3-phenyl-)
5-Isoxazolecarbonylchloride, 3-phenyl-, is a specialized organic compound featuring an isoxazole ring substituted with a phenyl group at the 3-position and a reactive carbonyl chloride moiety. This structure makes it a valuable intermediate in synthetic organic chemistry, particularly for the preparation of amides, esters, and other derivatives through nucleophilic acyl substitution reactions. Its high reactivity and selectivity are advantageous in pharmaceutical and agrochemical research, where it can be used to introduce the 3-phenylisoxazole scaffold into target molecules. The compound’s stability under controlled conditions ensures reliable performance in multi-step syntheses, making it a practical choice for advanced chemical applications.
124953-60-2 structure
Product Name:5-Isoxazolecarbonylchloride, 3-phenyl-
CAS No:124953-60-2
MF:C10H6ClNO2
MW:207.613141536713
CID:103649
PubChem ID:14397324
Update Time:2025-06-08
5-Isoxazolecarbonylchloride, 3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-Isoxazolecarbonylchloride, 3-phenyl-
- 3-phenyl-1,2-oxazole-5-carbonyl chloride
- 3-Phenylisoxazole-5-carbonyl chloride
- 5-Isoxazolecarbonyl chloride, 3-phenyl- (9CI)
- 3-phenyl-5-isoxazole carbonyl chloride
- 3-phenylisoxazole-5-carboxylic acid chloride
- 5-(Chlorocarbonyl)-3-phenylisoxazole
- 5-Isoxazolecarbonylchloride,3-phenyl
- DTXSID50559795
- MFCD09817542
- HGXKTMWKFBNMMH-UHFFFAOYSA-N
- FT-0705586
- 124953-60-2
- SCHEMBL3045808
- DB-062332
-
- Inchi： 1S/C10H6ClNO2/c11-10(13)9-6-8(12-14-9)7-4-2-1-3-5-7/h1-6H
- InChI Key： HGXKTMWKFBNMMH-UHFFFAOYSA-N
- SMILES： ClC(C1=CC(C2C=CC=CC=2)=NO1)=O
Computed Properties
- Exact Mass: 207.00900
- Monoisotopic Mass: 207.0087061g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 216
- 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
- XLogP3: 2.9
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- Density: 1.321
- Melting Point: 90.5-91.5°C
- Boiling Point: 370.2°Cat760mmHg
- Flash Point: 177.7°C
- Refractive Index: 1.568
- PSA: 43.10000
- LogP: 2.72060
5-Isoxazolecarbonylchloride, 3-phenyl- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHENG KE LU SI SHENG WU JI SHU | sc-256555-250 mg |
3-Phenylisoxazole-5-carbonyl chloride, |
124953-60-2 | 250MG |
￥745.00 | 2023-07-11 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-256555A-1 g |
3-Phenylisoxazole-5-carbonyl chloride, |
124953-60-2 | 1g |
￥1,737.00 | 2023-07-11 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-256555-250mg |
3-Phenylisoxazole-5-carbonyl chloride, |
124953-60-2 | 250mg |
￥745.00 | 2023-09-05 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-256555A-1g |
3-Phenylisoxazole-5-carbonyl chloride, |
124953-60-2 | 1g |
￥1737.00 | 2023-09-05 |
5-Isoxazolecarbonylchloride, 3-phenyl- Related Literature
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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