3,5-diacetamido-2,4,6-triiodobenzoic acid (CAS 117-96-4) — formula C11H9I3N2O4, molecular weight 613.91; category organic chemicals.
3,5-diacetamido-2,4,6-triiodobenzoic acid (CAS 117-96-4) is a chemical raw material in the organic chemicals category. Its molecular formula C11H9I3N2O4 comprises 11 C, 9 H, 3 I, 2 N, 4 O atoms. Its molecular weight is about 613.91. Reported physicochemical data: melting point around >250, LogP about 3.3. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 117-96-4 |
|---|---|
| Molecular Formula | C11H9I3N2O4 |
| Molecular Weight | 613.91 |
| Melting Point | >250 |
| LogP | 3.3 |
| Applications | Density gradient reagent for blood cell separation. /Sodium diatrizoate/, MEDICATION, MEDICATION (VET), Use (kg) in Switzerland (2009): >25, Use (kg, approx.) in Germany (2009): >50000 |
| Category | Organic Chemicals |
Documented applications: Density gradient reagent for blood cell separation. /Sodium diatrizoate/, MEDICATION, MEDICATION (VET), Use (kg) in Switzerland (2009): >25, Use (kg, approx.) in Germany (2009): >50000.
3,5-diacetamido-2,4,6-triiodobenzoic acid is a carbon-based organic compound with CAS registry number 117-96-4 and molecular formula C11H9I3N2O4 (molecular weight 613.91), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 117-96-4
Its molecular formula C11H9I3N2O4 comprises 11 C, 9 H, 3 I, 2 N, 4 O atoms.
Also known as: 3,5-diacetamido-2,4,6-triiodobenzoic acid · 3,5-二乙酰氨基-2,4,6-三碘苯甲酸
Category: organic chemicals
The CAS registry number of 3,5-diacetamido-2,4,6-triiodobenzoic acid is 117-96-4.
Molecular formula C11H9I3N2O4, molecular weight 613.91.
It is also registered under: 3,5-diacetamido-2,4,6-triiodobenzoic acid, 3,5-二乙酰氨基-2,4,6-三碘苯甲酸.
Recorded applications: Density gradient reagent for blood cell separation. /Sodium diatrizoate/, MEDICATION, MEDICATION (VET), Use (kg) in Switzerland (2009): >25, Use (kg, approx.) in Germany (2009): >50000.
Category: Organic Chemicals.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for 3,5-diacetamido-2,4,6-triiodobenzoic acid (CAS 117-96-4), compiled from public chemistry databases.
| CAS Registry Number | 117-96-4 |
|---|---|
| PubChem CID | 2140 |
| Molecular formula | C11H9I3N2O4 |
| IUPAC name | 3,5-diacetamido-2,4,6-triiodobenzoic acid |
| UNII (FDA) | 5UVC90J1LK |
| Molecular Weight | 613.91 |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 613.7696 |
| Monoisotopic Mass | 613.7696 |
| Topological Polar Surface Area | 95.5 |
| Heavy Atom Count | 20 |
| Melting Point | >250 |
|---|---|
| Melting Point | > 300 °C |
| Solubility | In water, 5.0X10+5 mg/L at 25 °C |
| Solubility | 1.07e-01 g/L |
| LogP | 3.3 |
| LogP | -1.05 |
| Collision Cross Section | 175.26 Ų [M+H]+ |
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
| GHS notification summary | 10% (1 / 10) |
|---|
| 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]
3,5-diacetamido-2,4,6-triiodobenzoic acid · CAS 117-96-4 · C11H9I3N2O4. UNII 5UVC90J1LK. Melting Point: >250; Melting Point: > 300 °C; Solubility: 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.
中文页面: 3,5-二乙酰氨基-2,4,6-三碘苯甲酸