Diatrizoic acid dihydrate (CAS 50978-11-5) — formula C11H13I3N2O6, molecular weight 649.94; category pharmaceutical intermediates and APIs.
Diatrizoic acid dihydrate is a pharmaceutical intermediate or API compound with CAS registry number 50978-11-5 and molecular formula C11H13I3N2O6 (molecular weight 649.94), belonging to the pharmaceutical intermediates and APIs segment of chemical raw materials.
CAS number: 50978-11-5
Its molecular formula C11H13I3N2O6 comprises 11 C, 13 H, 3 I, 2 N, 6 O atoms.
Also known as: Diatrizoic acid dihydrate · diatrizoic acid
Category: pharmaceutical intermediates and APIs
The CAS registry number of Diatrizoic acid dihydrate is 50978-11-5.
Molecular formula C11H13I3N2O6, molecular weight 649.94.
It is also registered under: Diatrizoic acid dihydrate, diatrizoic acid.
Category: Pharmaceutical Raw Materials.
Public-database records for Diatrizoic acid dihydrate (CAS 50978-11-5), reproduced here for independent cross-checking.
| GHS notification summary | 10% (1 / 10) |
|---|---|
| Reported hazard statements | H317 (90%), H334 (90%) |
This chemical does not meet GHS hazard criteria for 10% (1 of 10) of reports.
H317 (90%): May cause an allergic skin reaction [Warning Sensitization, Skin]
| GHS notification summary | 10% (1 / 10) |
|---|
| 熔点 | >250 |
|---|---|
| 熔点 | > 300 °C |
| 溶解度 | In water, 5.0X10+5 mg/L at 25 °C |
| 溶解度 | 1.07e-01 g/L |
| LogP | 3.3 |
| LogP | -1.05 |
| Collision Cross Section | 175.26 Ų [M+H]+ |
| CAS Registry Number | 50978-11-5 |
|---|---|
| PubChem CID | 2140 |
| 分子式 | C11H9I3N2O4 |
| IUPAC 名称 | 3,5-diacetamido-2,4,6-triiodobenzoic acid |
| UNII（FDA） | 5UVC90J1LK |
Diatrizoic acid; 117-96-4; amidotrizoic acid; DIATRIZOATE; Urogranoic acid; Amidotrizoate; Urografin acid; Urotrast; Diat; Diatriazoate; Diatrizoesaure; Acidum amidotrizoicum; 3,5-Bis(acetylamino)-2,4,6-triiodobenzoic acid; Acide amidotrizoique; Urothrast; 2,4,6-Triiodo-3,5-diacetamidobenzoic acid
| 分子量 | 613.91 |
|---|---|
| XLogP3 | 1.8 |
| 氢键供体数 | 3 |
| 氢键受体数 | 4 |
| 可旋转键数 | 3 |
| 精确质量 | 613.7696 |
| 单同位素质量 | 613.7696 |
| 拓扑极性表面积 | 95.5 |
| 重原子数 | 20 |
| 形式电荷 | 0 |
diatrizoic acid · CAS 50978-11-5 · C11H9I3N2O4. UNII 5UVC90J1LK. 熔点: >250; 熔点: > 300 °C; 溶解度: In water, 5.0X10+5 mg/L at 25 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.