5-Methyl-4-isoxazole carboxylic acid (CAS 42831-50-5) — formula C5H5NO3, molecular weight 127.10; category organic chemicals.
5-Methyl-4-isoxazole carboxylic acid is a carbon-based organic compound with CAS registry number 42831-50-5 and molecular formula C5H5NO3 (molecular weight 127.10), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 42831-50-5
Its molecular formula C5H5NO3 comprises 5 C, 5 H, 1 N, 3 O atoms.
Also known as: 5-Methyl-4-isoxazole carboxylic acid · 5-Methyl Isoxazole-4-Carboxylic Acid
Category: organic chemicals
The CAS registry number of 5-Methyl-4-isoxazole carboxylic acid is 42831-50-5.
Molecular formula C5H5NO3, molecular weight 127.10.
It is also registered under: 5-Methyl-4-isoxazole carboxylic acid, 5-Methyl Isoxazole-4-Carboxylic Acid.
Category: Organic Chemicals.
Public-database records for 5-Methyl-4-isoxazole carboxylic acid (CAS 42831-50-5), reproduced here for independent cross-checking.
| Reported hazard statements | H302 (15.4%), H315 (53.8%), H318 (30.8%), H319 (53.8%), H335 (46.2%) |
|---|
H302 (15.4%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (53.8%): Causes skin irritation [Warning Skin corrosion/irritation]
| CAS Registry Number | 42831-50-5 |
|---|---|
| PubChem CID | 1425240 |
| 分子式 | C5H5NO3 |
| IUPAC 名称 | 5-methyl-1,2-oxazole-4-carboxylic acid |
| UNII（FDA） | BL2Q213Q2M |
5-Methylisoxazole-4-carboxylic acid; 42831-50-5; Leflunomide Impurity D; BL2Q213Q2M; 4-Isoxazolecarboxylic acid, 5-methyl-; Leflunomide impurity D [EP]; DTXSID20195503; EC 700-400-1; LEFLUNOMIDE IMPURITY D [EP IMPURITY]; LEFLUNOMIDE IMPURITY D (EP IMPURITY); Leflunomide impurity, 5-methylisoxazole-carboxylic acid-(USP); Leflunomide impurity, 5-methylisoxazole-carboxylic acid-[USP]; LEFLUNOMIDE IMPURITY, 5-METHYLISOXAZOLE-CARBOXYLIC ACID-(USP IMPURITY); LEFLUNOMIDE IMPURITY, 5-METHYLISOXAZOLE-CARBOXYLIC ACID-[USP IMPURITY]; RefChem:537293; DTXCID90117994
| 分子量 | 127.10 |
|---|---|
| XLogP3 | 0.3 |
| 氢键供体数 | 1 |
| 氢键受体数 | 4 |
| 可旋转键数 | 1 |
| 精确质量 | 127.026943022 |
| 单同位素质量 | 127.026943022 |
| 拓扑极性表面积 | 63.3 |
| 重原子数 | 9 |
| 形式电荷 | 0 |
5-Methyl-4-isoxazole carboxylic acid · CAS 42831-50-5 · C5H5NO3. UNII BL2Q213Q2M.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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