3,5-二乙酰氨基-2,4,6-三碘苯甲酸（CAS 117-96-4）：分子式 C11H9I3N2O4、分子量 613.91。
| CAS号 | 117-96-4 |
|---|---|
| 分子式 | C11H9I3N2O4 |
| 分子量 | 613.91 |
| 熔点 | >250 |
| LogP | 3.3 |
| 应用领域 | Uses: 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、exact) in Germany (2009): 63988、Consumption (g per capita) in Switzerland (2009): 0.0032、Consumption (g per capita、approx.) in Germany (2009): 0.61、exact) in Germany (2009): 0.78、Excretion rate: 1、Calculated removal (%): 1.9、Methods of Manufacturing: Derived from benzoic acid by (1) nitration to the 3、5-dinitro acid、(2) reduction by means of stannous chloride or other reducing agent to the corresponding diamino acid、(3) iodination with iodine monochloride in acetic acid to the 2、4、6-triiodo derivative、or (4) acetylation of the amino groups by use of acetic anhydride.、Diatrizoic acid is reacted with equimolar quantity of NaOH、usually in water for injection to produce soln of required concn.、Diatrizoic acid is reacted with an equimolar quantity of methylglucamine (meglumine)、usually in water for injection、to produce a solution of the required concentration.、Diatrizoate meglumine、Formulations、Preparations: 66% (660 mg per mL) of diatrizoate meglumine and 10% (100 mg per mL) of diatrizoate sodium with 36.7% (367 mg per mL) of iodine (Rx)、Tradename:、Gastrografin、MD-Gastroview.、Diatrizoates、GRADE: USP (as solution for injection)、U.S. Production: (1975) GREATER THAN 1.82X10+6 G (SALTS ONLY)、(1977) GREATER THAN 9.08X10+5 G (SALTS ONLY)、U.S. Imports: (1975) No Data、(1977) No Data、U.S. Exports: (1975) No Data、General Manufacturing Information: Information available in 2005 indicated that Meglumine diatrizoate was used in the manufacture of pharmaceutical preparations in the following countries: Algeria、Argentina、Australia、Austria、Belgium、Brazil、Canada、Chile、Colombia、Czech Republic、Denmark、Finland、France、Germany、Greece、Hungary、India、Israel、Italy、Luxembourg、Netherlands、New Zealand、Norway、Poland、Portugal、Romania、Russian Federation、Singapore、South Africa、Spain、Sweden、Switzerland、Turkey、United Kingdom、United States、Yugoslavia (1、2)、Meglumine diatrizoate、Information available in 2005 indicated that Sodium diatrizoate was used in the manufacture of pharmaceutical preparations in the following countries: Algeria、Information available in 2005 indicated that Lysine diatrizoate was used in the manufacture of pharmaceutical preparations in the following countries: Austria、Hungary (1、Information available in 2005 indicated that Calcium diatrizoate was used in the manufacture of pharmaceutical preparations in the following countries: Brazil、Spain (1 |
登记用途：Uses: 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、exact) in Germany (2009): 63988、Consumption (g per capita) in Switzerland (2009): 0.0032、Consumption (g per capita、approx.) in Germany (2009): 0.61、exact) in Germany (2009): 0.78、Excretion rate: 1、Calculated removal (%): 1.9、Methods of Manufacturing: Derived from benzoic acid by (1) nitration to the 3、5-dinitro acid、(2) reduction by means of stannous chloride or other reducing agent to the corresponding diamino acid、(3) iodination with iodine monochloride in acetic acid to the 2、4、6-triiodo derivative、or (4) acetylation of the amino groups by use of acetic anhydride.、Diatrizoic acid is reacted with equimolar quantity of NaOH、usually in water for injection to produce soln of required concn.、Diatrizoic acid is reacted with an equimolar quantity of methylglucamine (meglumine)、usually in water for injection、to produce a solution of the required concentration.、Diatrizoate meglumine、Formulations、Preparations: 66% (660 mg per mL) of diatrizoate meglumine and 10% (100 mg per mL) of diatrizoate sodium with 36.7% (367 mg per mL) of iodine (Rx)、Tradename:、Gastrografin、MD-Gastroview.、Diatrizoates、GRADE: USP (as solution for injection)、U.S. Production: (1975) GREATER THAN 1.82X10+6 G (SALTS ONLY)、(1977) GREATER THAN 9.08X10+5 G (SALTS ONLY)、U.S. Imports: (1975) No Data、(1977) No Data、U.S. Exports: (1975) No Data、General Manufacturing Information: Information available in 2005 indicated that Meglumine diatrizoate was used in the manufacture of pharmaceutical preparations in the following countries: Algeria、Argentina、Australia、Austria、Belgium、Brazil、Canada、Chile、Colombia、Czech Republic、Denmark、Finland、France、Germany、Greece、Hungary、India、Israel、Italy、Luxembourg、Netherlands、New Zealand、Norway、Poland、Portugal、Romania、Russian Federation、Singapore、South Africa、Spain、Sweden、Switzerland、Turkey、United Kingdom、United States、Yugoslavia (1、2)、Meglumine diatrizoate、Information available in 2005 indicated that Sodium diatrizoate was used in the manufacture of pharmaceutical preparations in the following countries: Algeria、Information available in 2005 indicated that Lysine diatrizoate was used in the manufacture of pharmaceutical preparations in the following countries: Austria、Hungary (1、Information available in 2005 indicated that Calcium diatrizoate was used in the manufacture of pharmaceutical preparations in the following countries: Brazil、Spain (1。
3,5-二乙酰氨基-2,4,6-三碘苯甲酸 是一种化工化合物，登记 CAS 号为 117-96-4，分子式 C11H9I3N2O4（分子量 613.91）。
登记 CAS 号：117-96-4
其分子式 C11H9I3N2O4 由 11 个碳、9 个氢、3 个碘、2 个氮、4 个氧 组成。
别名/同义词：3,5-二乙酰氨基-2,4,6-三碘苯甲酸 · 3,5-diacetamido-2,4,6-triiodobenzoic acid
3,5-二乙酰氨基-2,4,6-三碘苯甲酸 的 CAS 登记号为 117-96-4。
分子式 C11H9I3N2O4，分子量 613.91。
别名/同义词：3,5-二乙酰氨基-2,4,6-三碘苯甲酸、3,5-diacetamido-2,4,6-triiodobenzoic acid。
登记用途：Uses: 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、exact) in Germany (2009): 63988、Consumption (g per capita) in Switzerland (2009): 0.0032、Consumption (g per capita、approx.) in Germany (2009): 0.61、exact) in Germany (2009): 0.78、Excretion rate: 1、Calculated removal (%): 1.9、Methods of Manufacturing: Derived from benzoic acid by (1) nitration to the 3、5-dinitro acid、(2) reduction by means of stannous chloride or other reducing agent to the corresponding diamino acid、(3) iodination with iodine monochloride in acetic acid to the 2、4、6-triiodo derivative、or (4) acetylation of the amino groups by use of acetic anhydride.、Diatrizoic acid is reacted with equimolar quantity of NaOH、usually in water for injection to produce soln of required concn.、Diatrizoic acid is reacted with an equimolar quantity of methylglucamine (meglumine)、usually in water for injection、to produce a solution of the required concentration.、Diatrizoate meglumine、Formulations、Preparations: 66% (660 mg per mL) of diatrizoate meglumine and 10% (100 mg per mL) of diatrizoate sodium with 36.7% (367 mg per mL) of iodine (Rx)、Tradename:、Gastrografin、MD-Gastroview.、Diatrizoates、GRADE: USP (as solution for injection)、U.S. Production: (1975) GREATER THAN 1.82X10+6 G (SALTS ONLY)、(1977) GREATER THAN 9.08X10+5 G (SALTS ONLY)、U.S. Imports: (1975) No Data、(1977) No Data、U.S. Exports: (1975) No Data、General Manufacturing Information: Information available in 2005 indicated that Meglumine diatrizoate was used in the manufacture of pharmaceutical preparations in the following countries: Algeria、Argentina、Australia、Austria、Belgium、Brazil、Canada、Chile、Colombia、Czech Republic、Denmark、Finland、France、Germany、Greece、Hungary、India、Israel、Italy、Luxembourg、Netherlands、New Zealand、Norway、Poland、Portugal、Romania、Russian Federation、Singapore、South Africa、Spain、Sweden、Switzerland、Turkey、United Kingdom、United States、Yugoslavia (1、2)、Meglumine diatrizoate、Information available in 2005 indicated that Sodium diatrizoate was used in the manufacture of pharmaceutical preparations in the following countries: Algeria、Information available in 2005 indicated that Lysine diatrizoate was used in the manufacture of pharmaceutical preparations in the following countries: Austria、Hungary (1、Information available in 2005 indicated that Calcium diatrizoate was used in the manufacture of pharmaceutical preparations in the following countries: Brazil、Spain (1。
3,5-二乙酰氨基-2,4,6-三碘苯甲酸（CAS 117-96-4）的独立参考数据，整理自公开化学数据库。
| 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.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 3,5-diacetamido-2,4,6-triiodobenzoic acid