3-METHYL-1H-PYRAZOLE-4-CARBALDEHYDE (CAS 112758-40-4) — formula C5H6N2O, molecular weight 110.11; category organic chemicals.
3-METHYL-1H-PYRAZOLE-4-CARBALDEHYDE is a carbon-based organic compound with CAS registry number 112758-40-4 and molecular formula C5H6N2O (molecular weight 110.11), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 112758-40-4
Its molecular formula C5H6N2O comprises 5 C, 6 H, 2 N, 1 O atoms.
Also known as: 3-METHYL-1H-PYRAZOLE-4-CARBALDEHYDE
Category: organic chemicals
The CAS registry number of 3-METHYL-1H-PYRAZOLE-4-CARBALDEHYDE is 112758-40-4.
Molecular formula C5H6N2O, molecular weight 110.11.
It is also registered under: 3-METHYL-1H-PYRAZOLE-4-CARBALDEHYDE.
Category: Organic Chemicals.
Public-database records for 3-METHYL-1H-PYRAZOLE-4-CARBALDEHYDE (CAS 112758-40-4), reproduced here for independent cross-checking.
| Reported hazard statements | H302 (88.6%), H315 (13.6%), H319 (13.6%), H335 (11.4%) |
|---|
H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (13.6%): Causes skin irritation [Warning Skin corrosion/irritation]
| CAS Registry Number | 112758-40-4 |
|---|---|
| PubChem CID | 2760056 |
| 分子式 | C5H6N2O |
| IUPAC 名称 | 5-methyl-1H-pyrazole-4-carbaldehyde |
3-methyl-1H-pyrazole-4-carbaldehyde; 112758-40-4; DTXSID80375001; RefChem:280689; DTXCID60326031; 681-304-6; 5-methyl-1H-pyrazole-4-carbaldehyde; 3-Methyl-1H-pyrazole-4-carboxaldehyde; 3-Methylpyrazole-4-carbaldehyde; MFCD01313822; 4-Formyl-3-methylpyrazole; 3-methyl-4-formylpyra-zole; AKOS004121035; 1395070-81-1; PB32235; PS-5693
| 分子量 | 110.11 |
|---|---|
| XLogP3 | 0.1 |
| 氢键供体数 | 1 |
| 氢键受体数 | 2 |
| 可旋转键数 | 1 |
| 精确质量 | 110.048012819 |
| 单同位素质量 | 110.048012819 |
| 拓扑极性表面积 | 45.8 |
| 重原子数 | 8 |
| 形式电荷 | 0 |
3-METHYL-1H-PYRAZOLE-4-CARBALDEHYDE · CAS 112758-40-4 · C5H6N2O.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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