3.5-Dinitr
3,5-Dinitrobenzoic acid
CAS: 99-34-3
Molecular Formula: C7H4N2O6
3.5-Dinitr - Names and Identifiers
| Name | 3,5-Dinitrobenzoic acid |
| Synonyms | DNBA 3.5-Dinitr 3,5-dinitrobenzoate 3,5-nitrobenzoic acid 3,5-Dinitrobenzoic acid 3,5-DINITROBENZOIC ACID DINITROBENZOIC-3,5 ACID DINITROBENZOIC ACID,3,5- ACID 3,5-DINITROBENZOIQUE 3, 5-2 nitro benzoic acid 3-CARBOXY-1,5-DINITROBENZENE silver(1+) 3,5-dinitrobenzoate 3,5-Dinitrobenzoic Acid (1.00138) 3,5-Dinitrobenzoic acid Solution, 100ppm |
| CAS | 99-34-3 |
| EINECS | 202-751-1 |
| InChI | InChI=1/C7H4N2O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)/p-1 |
3.5-Dinitr - Physico-chemical Properties
| Molecular Formula | C7H4N2O6 |
| Molar Mass | 212.12 |
| Density | 1.683 |
| Melting Point | 204-206 °C (lit.) |
| Boling Point | 351.93°C (rough estimate) |
| Flash Point | 179.2°C |
| Water Solubility | 1350 mg/L (25 ºC) |
| Solubility | ethanol: soluble0.5g/10 mL, clear, yellow to very deep greenish-yellow |
| Vapor Presure | 5.79E-07mmHg at 25°C |
| Appearance | Yellow solid |
| Color | Yellow crystalline |
| Merck | 14,3276 |
| BRN | 1914286 |
| pKa | pK1:2.85 (25°C) |
| Storage Condition | Sealed in dry,Room Temperature |
| Stability | Stable. Contact with strong bases may lead to fire. Incompatible with strong bases, strong oxidizing agents. |
| Sensitive | Easily absorbing moisture |
| Refractive Index | 1.5300 (estimate) |
| MDL | MFCD00007253 |
| Physical and Chemical Properties | Density 1.683 melting point 205-209°C water-soluble 1350 mg/L (25°C) |
| Use | As a diagnostic drug (X-ray contrast agent), diatrizoate, dyes and other intermediates |
3.5-Dinitr - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. R68 - Possible risk of irreversible effects R11 - Highly Flammable |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S16 - Keep away from sources of ignition. |
| UN IDs | UN1325 |
| WGK Germany | 3 |
| RTECS | DG9140700 |
| TSCA | Yes |
| HS Code | 29163900 |
| Hazard Class | 4.1 |
| Packing Group | III |
3.5-Dinitr - Reference Information
Open Data Unverified Data
| pH range of acid-base indicator discoloration | 2.7 |
| LogP | 1.51 at 20℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| uses | is used as an intermediate in organic synthesis for the production of diatrizoate as a diagnostic drug. The product may also be used as an analytical reagent. used as intermediate of X-ray contrast agent, such as diatrizoate, dye, etc. used as diagnostic drug (X-ray contrast agent), intermediates of dyes and so on reagents for resin derivatization and ampicillin determination |
| production method | is obtained by nitration of benzoic acid. Sulfuric acid was added to a dry reaction pan, and benzoic acid was added with stirring. After heating to 60 °c, fuming nitric acid was added dropwise, and the addition was completed at less than 85 °c. React at 80-85 °c for 1H, 100 °c for 0.5-1H, then warm to 135 °c for 2H. Left overnight. The reaction solution was put into ice water to precipitate crystals, and the crystals were filtered, and then washed with water and 50% ethanol to obtain 3, 5-dinitrobenzoic acid. The yield was 70%. |
Last Update：2024-04-09 19:43:38
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View History
3.5-Dinitr
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反-2-甲氧基肉桂酸
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