CAS Number391211-97-5
Synonyms3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoic acid; 3,4-Difluoro-2-((2-fluoro-4-iodophenyl)amino)benzoic acid; 3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzoic acid; 2-(2-Fluoro-4-iodoanilino)-3,4-difluorobenzoic Acid
Molecular FormulaC13H7F3INO2
Molecular Weight393.10
Density1.9±0.1 g/cm3
Boiling Point370.1±42.0 °C at 760 mmHg
Melting Point189-191°C
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 391211-97-5 |
| Catalog No. | 2A-1180661 |
| Chinese Name | 3,4-二氟-2-((2-氟-4-碘苯基)氨基)苯甲酸 |
| Synonyms | 3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoic acid; 3,4-Difluoro-2-((2-fluoro-4-iodophenyl)amino)benzoic acid; 3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzoic acid; 2-(2-Fluoro-4-iodoanilino)-3,4-difluorobenzoic Acid |
| Molecular Formula | C13H7F3INO2 |
| Molecular Weight | 393.10 |
| Density | 1.9±0.1 g/cm3 |
| Boiling Point | 370.1±42.0 °C at 760 mmHg |
| Melting Point | 189-191°C |
| Storage Condition | 2-8°C |
| HTC | 2922499990 |
| PubChem ID | 329819721 |
| MDL Number | MFCD08690072 |
| SMILES | O=C(O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F |
| InChI | InChI=1S/C13H7F3INO2/c14-8-3-2-7(13(19)20)12(11(8)16)18-10-4-1-6(17)5-9(10)15/h1-5,18H,(H,19,20) |
| InChI Key | REMYZOSCCVDLDL-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12352106 |
| Use of | health and chemical hazard data given on this sheet. Store in closed vessels, refrigerated. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data Melting point: Flash point:No data Molecular formula:C13H7F3INO2 Molecular weight:393.1 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen fluoride, hydrogen Iodide. Section11. Toxicological information Section12. Ecological information Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION Safety Information Hazard Codes Xi HS Code 2922499990 Synthetic Route Total: 1 Page 2-Fluoro-4-iodo... CAS#:29632-74-4 2,3,4-Trifluoro... CAS#:61079-72-9 2-(2-Fluoro-4-i... CAS#:391211-97-5 Literature: Angewandte Chemie - International Edition, , vol. 52, # 33 p. 8551 - 8556 Angew. Chem., , vol. 125, # 33 p. 8713 - 8718,6 Precursor & DownStream Precursor 2 CAS#:29632-74-4 2-Fluoro-4-iodo... CAS#:61079-72-9 2,3,4-Trifluoro... DownStream 4 CAS#:391210-10-9 CAS#:833451-96-0 3,4-difluoro-2-... CAS#:833451-97-1 [3,4-difluoro-2... CAS#:934664-19-4 3,4-DIFLUORO-2-... |
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