5-methyl-1H-pyrazole-4-carboxylic acid (CAS 40704-11-8) — formula C5H6N2O2, molecular weight 126.11; category organic chemicals.
5-methyl-1H-pyrazole-4-carboxylic acid is a carbon-based organic compound with CAS registry number 40704-11-8 and molecular formula C5H6N2O2 (molecular weight 126.11), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 40704-11-8
Its molecular formula C5H6N2O2 comprises 5 C, 6 H, 2 N, 2 O atoms.
Also known as: 5-methyl-1H-pyrazole-4-carboxylic acid
Category: organic chemicals
The CAS registry number of 5-methyl-1H-pyrazole-4-carboxylic acid is 40704-11-8.
Molecular formula C5H6N2O2, molecular weight 126.11.
It is also registered under: 5-methyl-1H-pyrazole-4-carboxylic acid.
Category: Organic Chemicals.
Public-database records for 5-methyl-1H-pyrazole-4-carboxylic acid (CAS 40704-11-8), reproduced here for independent cross-checking.
| Reported hazard statements | H315 (100%), H319 (100%), H335 (100%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
| CAS Registry Number | 40704-11-8 |
|---|---|
| PubChem CID | 557600 |
| 分子式 | C5H6N2O2 |
| IUPAC 名称 | 5-methyl-1H-pyrazole-4-carboxylic acid |
5-methyl-1H-pyrazole-4-carboxylic acid; RefChem:536911; 828-300-4; 3-Methyl-1H-pyrazole-4-carboxylic acid; 40704-11-8; 1035225-22-9; 3-Methylpyrazole-4-carboxylic acid; MFCD00608153; 3-methyl-pyrazole-4-carboxylic acid; 1H-Pyrazole-4-carboxylic acid, 3-methyl-; MFCD08443868; 5-methylpyrazole-4-carboxylic; CHEBI:74742; AKOS025394089; TS-01652; F3379-1064
| 分子量 | 126.11 |
|---|---|
| XLogP3 | 0.1 |
| 氢键供体数 | 2 |
| 氢键受体数 | 3 |
| 可旋转键数 | 1 |
| 精确质量 | 126.042927438 |
| 单同位素质量 | 126.042927438 |
| 拓扑极性表面积 | 66 |
| 重原子数 | 9 |
| 形式电荷 | 0 |
5-methyl-1H-pyrazole-4-carboxylic acid · CAS 40704-11-8 · C5H6N2O2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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