Cas no 116422-98-1 (3-(dimethyl-1,2-oxazol-4-yl)propanenitrile)
3-(Dimethyl-1,2-oxazol-4-yl)propanenitrile is a versatile nitrile-functionalized heterocyclic compound, primarily valued for its utility as an intermediate in organic synthesis. The dimethyl-substituted oxazole core enhances its stability while the propanenitrile moiety offers reactivity for further functionalization, making it suitable for applications in pharmaceuticals, agrochemicals, and material science. Its well-defined structure ensures consistent performance in coupling reactions, cyclizations, and other transformations. The compound’s balanced lipophilicity and electronic properties contribute to its effectiveness in designing bioactive molecules. Proper handling under controlled conditions is recommended due to its nitrile group. This product is typically supplied with high purity to meet rigorous research and industrial requirements.
116422-98-1 structure
Product Name:3-(dimethyl-1,2-oxazol-4-yl)propanenitrile
CAS No:116422-98-1
MF:C8H10N2O
MW:150.177801609039
CID:98505
PubChem ID:3283211
Update Time:2025-10-18
3-(dimethyl-1,2-oxazol-4-yl)propanenitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-Isoxazolepropanenitrile,3,5-dimethyl-
- 3-(3,5-Dimethyl-1,2-oxazol-4-yl)propanenitrile
- 4-Isoxazolepropanenitrile,3,5-dimethyl-(9CI)
- 3-(3,5-dimethylisoxazol-4-yl)propanenitrile
- 4-(2-Cyanoethyl)-3,5-dimethylisoxazole
- T5NOJ C1 D2CN E1 [WLN]
- 3-(dimethyl-1,2-oxazol-4-yl)propanenitrile
- 4-Isoxazolepropanenitrile, 3,5-dimethyl-
- SCHEMBL18600067
- AKOS003674015
- EN300-1856928
- 116422-98-1
- CS-0305753
-
- Inchi： 1S/C8H10N2O/c1-6-8(4-3-5-9)7(2)11-10-6/h3-4H2,1-2H3
- InChI Key： HWJIQXZPZGZUNU-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C(C)=N1)CCC#N
Computed Properties
- Exact Mass: 150.0794
- Monoisotopic Mass: 150.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 172
- 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: 1.1
- Topological Polar Surface Area: 49.8?2
Experimental Properties
- Density: 1.067
- Boiling Point: 321.7°C at 760 mmHg
- Flash Point: 148.4°C
- Refractive Index: 1.485
- PSA: 49.82
3-(dimethyl-1,2-oxazol-4-yl)propanenitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1376423-50mg |
3-(3,5-Dimethylisoxazol-4-yl)propanenitrile |
116422-98-1 | 98% | 50mg |
￥24624.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1376423-100mg |
3-(3,5-Dimethylisoxazol-4-yl)propanenitrile |
116422-98-1 | 98% | 100mg |
￥22370.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1376423-250mg |
3-(3,5-Dimethylisoxazol-4-yl)propanenitrile |
116422-98-1 | 98% | 250mg |
￥23371.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1376423-500mg |
3-(3,5-Dimethylisoxazol-4-yl)propanenitrile |
116422-98-1 | 98% | 500mg |
￥22524.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1376423-1g |
3-(3,5-Dimethylisoxazol-4-yl)propanenitrile |
116422-98-1 | 98% | 1g |
￥29322.00 | 2024-08-09 | |
| Enamine | EN300-1856928-0.05g |
3-(dimethyl-1,2-oxazol-4-yl)propanenitrile |
116422-98-1 | 0.05g |
$912.0 | 2023-09-18 | ||
| Enamine | EN300-1856928-0.1g |
3-(dimethyl-1,2-oxazol-4-yl)propanenitrile |
116422-98-1 | 0.1g |
$956.0 | 2023-09-18 | ||
| Enamine | EN300-1856928-0.25g |
3-(dimethyl-1,2-oxazol-4-yl)propanenitrile |
116422-98-1 | 0.25g |
$999.0 | 2023-09-18 | ||
| Enamine | EN300-1856928-0.5g |
3-(dimethyl-1,2-oxazol-4-yl)propanenitrile |
116422-98-1 | 0.5g |
$1043.0 | 2023-09-18 | ||
| Enamine | EN300-1856928-1.0g |
3-(dimethyl-1,2-oxazol-4-yl)propanenitrile |
116422-98-1 | 1g |
$1086.0 | 2023-06-03 |
3-(dimethyl-1,2-oxazol-4-yl)propanenitrile Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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