1-(4'-Sulfophenyl)-3-Carboxy-5-Pyrazolone (CAS 118-47-8) — formula C10H8N2O6S, molecular weight 284.25; category organic chemicals.
Documented applications: General Manufacturing Information: 1H-Pyrazole-3-carboxylic acid, 4, 5-dihydro-5-oxo-1-(4-sulfophenyl)-: ACTIVE, 1H-Pyrazole-3-carboxylic acid, 5-hydroxy-1-(4-sulfophenyl)-: INACTIVE.
1-(4'-Sulfophenyl)-3-Carboxy-5-Pyrazolone is a carbon-based organic compound with CAS registry number 118-47-8 and molecular formula C10H8N2O6S (molecular weight 284.25), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 118-47-8
Its molecular formula C10H8N2O6S comprises 10 C, 8 H, 2 N, 6 O, 1 S atoms.
Also known as: 1-(4'-Sulfophenyl)-3-Carboxy-5-Pyrazolone · 5-oxo-1-(4-sulphophenyl)-2-pyrazoline-3-carboxylic acid
Category: organic chemicals
The CAS registry number of 1-(4'-Sulfophenyl)-3-Carboxy-5-Pyrazolone is 118-47-8.
Molecular formula C10H8N2O6S, molecular weight 284.25.
It is also registered under: 1-(4'-Sulfophenyl)-3-Carboxy-5-Pyrazolone, 5-oxo-1-(4-sulphophenyl)-2-pyrazoline-3-carboxylic acid.
Recorded applications: General Manufacturing Information: 1H-Pyrazole-3-carboxylic acid, 4, 5-dihydro-5-oxo-1-(4-sulfophenyl)-: ACTIVE, 1H-Pyrazole-3-carboxylic acid, 5-hydroxy-1-(4-sulfophenyl)-: INACTIVE.
Category: Organic Chemicals.
Public-database records for 1-(4'-Sulfophenyl)-3-Carboxy-5-Pyrazolone (CAS 118-47-8), reproduced here for independent cross-checking.
| GHS notification summary | 6.5% (10 / 154) |
|---|---|
| Reported hazard statements | H319 (26%), H412 (67.5%) |
This chemical does not meet GHS hazard criteria for 6.5% (10 of 154) of reports.
H319 (26%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
| GHS notification summary | 6.5% (10 / 154) |
|---|
| CAS Registry Number | 118-47-8 |
|---|---|
| PubChem CID | 67045 |
| 分子式 | C10H8N2O6S |
| IUPAC 名称 | 5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid |
| UNII(FDA) | 2A9HS5E9L7 |
118-47-8; Pyrazolone T; 1-(4'-SULFOPHENYL)-3-CARBOXY-5-PYRAZOLONE; 5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid; 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-; DTXSID5041273; EINECS 204-254-5; NSC 50665; BRN 0689305; 2A9HS5E9L7; 5-Oxo-1-(4-sulphophenyl)-2-pyrazoline-3-carboxylic acid; DTXCID3021273; NSC-50665; NSC-51118; RefChem:870517; DTXCID3036575
| 分子量 | 284.25 |
|---|---|
| XLogP3 | -0.3 |
| 氢键供体数 | 2 |
| 氢键受体数 | 7 |
| 可旋转键数 | 3 |
| 精确质量 | 284.01030715 |
| 单同位素质量 | 284.01030715 |
| 拓扑极性表面积 | 133 |
| 重原子数 | 19 |
| 形式电荷 | 0 |
1-(4'-Sulfophenyl)-3-Carboxy-5-Pyrazolone · CAS 118-47-8 · C10H8N2O6S. UNII 2A9HS5E9L7.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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