3,5-Diiodosalicylic acid
Pharmaceutical Materials 2025-03-02
CAS Number: 133-91-5
Molecular Formula: C7H4I2O3
Molecular Weight: 389.91
Appearance: Off-white to beige or grey powder Melting Point: 220-234°C Density: Approximately 2.7 g/cm3 Use: Pharmaceutical intermediate
Names and Identifiers
| Name | 3,5-Diiodosalicylic acid |
| Synonyms | 3,5-Diiodosalicylic acid 3,5-DIIODOSALICYLIC ACID 3,5-Di-Iodo Salicylic acid 2-hydroxy-3,5-diiodobenzoate 2-Hydroxy-3,5-diiodobenzoate 3,5-diiodo-2-hydroxy-benzoicaci 2-hydroxy-3,5-diiodo-benzoicaci 3,5-Diiodo-2-hydroxybenzoic acid 3,5-DIIODO-2-BENZOXYBENZOIC ACID 3,5-DIIODO-2-HYDROXYBENZOIC ACID 2-Hydroxy-3,5-diiodobenzoic acid 2-HYDROXY-3,5-DIIODOBENZOIC ACID 2-Hydroxy-3,5-diiodobenzenecarboxylic acid 3,5-Diiodosalicylic acid, (3,5-Diiodo-2-hydroxybenzoic acid) |
| CAS | 133-91-5 |
| EINECS | 205-124-0 |
| InChI | InChI=1/C7H4I2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)/p-1 |
| InChIKey | DHZVWQPHNWDCFS-UHFFFAOYSA-N |
133-91-5 – Physico-chemical Properties
| Molecular Formula | C7H4I2O3 |
| Molar Mass | 389.91 |
| Density | 2.4343 (estimate) |
| Melting Point | 220-230 °C (dec.) (lit.) |
| Boling Point | 260°C (rough estimate) |
| Flash Point | 184.1°C |
| Water Solubility | 0.02 g/100mL (25 ºC) |
| Solubility | 0.192g/l |
| Vapor Presure | 0Pa at 25℃ |
| Appearance | White to beige powder |
| Color | White to Off-White |
| Merck | 14,3190 |
| BRN | 2615358 |
| pKa | 2.07±0.14(Predicted) |
| Storage Condition | -20°C |
| Sensitive | Light Sensitive |
| MDL | MFCD00002444 |
| Physical and Chemical Properties | Melting point 227-235°C water-soluble 0.02g/100mL (25°C) |
| Use | Used as a pharmaceutical Intermediate |
133-91-5 – Risk and Safety
| Risk Codes | R20/21/22 – Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 – Irritating to eyes, respiratory system and skin. R22 – Harmful if swallowed |
| Safety Description | S26 – In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 – Wear suitable protective clothing. S37/39 – Wear suitable gloves and eye/face protection |
| WGK Germany | 3 |
| RTECS | VO2800000 |
| FLUKA BRAND F CODES | 8 |
| TSCA | Yes |
| HS Code | 29182990 |
133-91-5 – Upstream Downstream Industry
| Raw Materials | Iodine |
133-91-5 – Reference Information
| LogP | 0.59 at 37℃ |
| use | 3, 5-diiodosalicylic acid is a metabolite of aspirin (A187780) and an anti-inflammatory, anti-platelet and cancer preventive agent. 3, 5-diiodosalicylic acid showed agonist activity on the orphan G protein-coupled receptor GPR35. Used as an iodine source for food. Also used as a pharmaceutical intermediate. |
| production method | dissolve salicylic acid in glacial acetic acid, add a solution prepared by iodine monochloride and glacial acetic acid, add water, and react at 80 ℃ for 20min. After the reaction, the product was cooled, filtered out, and refined to obtain 3, 5-diiodosalicylic acid with a yield of 91-92%. |
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