3,5-Pyrazoledicarboxylic acid monohydrate (CAS 3112-31-0) — formula C5H4N2O4, molecular weight 156.10; category organic chemicals.
3,5-Pyrazoledicarboxylic acid monohydrate is a carbon-based organic compound with CAS registry number 3112-31-0 and molecular formula C5H4N2O4 (molecular weight 156.10), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 3112-31-0
Its molecular formula C5H4N2O4 comprises 5 C, 4 H, 2 N, 4 O atoms.
Also known as: 3,5-Pyrazoledicarboxylic acid monohydrate · 3,5-Pyrazoledicarboxylic acid
Category: organic chemicals
The CAS registry number of 3,5-Pyrazoledicarboxylic acid monohydrate is 3112-31-0.
Molecular formula C5H4N2O4, molecular weight 156.10.
It is also registered under: 3,5-Pyrazoledicarboxylic acid monohydrate, 3,5-Pyrazoledicarboxylic acid.
Category: Organic Chemicals.
Public-database records for 3,5-Pyrazoledicarboxylic acid monohydrate (CAS 3112-31-0), reproduced here for independent cross-checking.
| GHS notification summary | 50% (1 / 2) |
|---|---|
| Reported hazard statements | H315 (50%), H319 (50%) |
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
| GHS notification summary | 50% (1 / 2) |
|---|
| CAS Registry Number | 3112-31-0 |
|---|---|
| PubChem CID | 76559 |
| 分子式 | C5H4N2O4 |
| IUPAC 名称 | 1H-pyrazole-3,5-dicarboxylic acid |
| UNII（FDA） | WHA5GF9D4D |
3112-31-0; 3,5-Pyrazoledicarboxylic acid; Pyrazole-3,5-dicarboxylic acid; WHA5GF9D4D; Pyrazole-3,5-dicarboxylic acid monohydrate; DTXSID90185057; NSC-51108; RefChem:870465; DTXCID00107548; 221-474-7; 1H-Pyrazole-3,5-dicarboxylic acid; MFCD00005235; 3,5-pyrazole-dicarboxylic acid; CS-D0468; CHEMBL2071014; 3,5-Pyrazole dicarboxylic acid
| 分子量 | 156.10 |
|---|---|
| XLogP3 | -0.1 |
| 氢键供体数 | 3 |
| 氢键受体数 | 5 |
| 可旋转键数 | 2 |
| 精确质量 | 156.01710661 |
| 单同位素质量 | 156.01710661 |
| 拓扑极性表面积 | 103 |
| 重原子数 | 11 |
| 形式电荷 | 0 |
3,5-Pyrazoledicarboxylic acid monohydrate · CAS 3112-31-0 · C5H4N2O4. UNII WHA5GF9D4D.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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