Introduction：Basic information about 4-(Trifluoromethoxy)nitrobenzene CAS 713-65-5, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
4-(Trifluoromethoxy)nitrobenzene Basic information
| Product Name: | 4-(Trifluoromethoxy)nitrobenzene |
| Synonyms: | TIMTEC-BB SBB001666;P-NITRO (TRIFLUOROMETHOXY) BENZENE;4-(TRIFLUOROMETHOXY)NITROBENZENE;4-NITRO-1-TRIFLUOROMETHOXYBENZENE;1-NITRO-4-(TRIFLUOROMETHOXY)BENZENE;4-nitrotrifluoromethoxybenzene;p-Nitro (Trifluoromethoxy) Benzene 4-(Trifluoromethoxy)nitrobenzene;4-(trifluoromrthoxy)nitrobebzene |
| CAS: | 713-65-5 |
| MF: | C7H4F3NO3 |
| MW: | 207.11 |
| EINECS: | 671-689-9 |
| Product Categories: | |
| Mol File: | 713-65-5.mol |
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4-(Trifluoromethoxy)nitrobenzene Chemical Properties
| Melting point | 15°C |
| Boiling point | 87 °C |
| density | 1,447 g/cm3 |
| refractive index | 1.467 |
| Fp | 87-89°C/15mm |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (Soluble), Methanol (Sparingly) |
| form | clear liquid |
| color | Light orange to Yellow to Green |
| Water Solubility | Not miscible or difficult to mix in water. |
| BRN | 1966388 |
| InChI | InChI=1S/C7H4F3NO3/c8-7(9,10)14-6-3-1-5(2-4-6)11(12)13/h1-4H |
| InChIKey | UBEIKVUMDBCCRW-UHFFFAOYSA-N |
| SMILES | C1([N+]([O-])=O)=CC=C(OC(F)(F)F)C=C1 |
| CAS DataBase Reference | 713-65-5(CAS DataBase Reference) |
| NIST Chemistry Reference | Alpha,alpha,alpha-trifluoro-4'-nitroanisole(713-65-5) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36-37-23 |
| HazardClass | IRRITANT |
| HS Code | 29093090 |
4-(Trifluoromethoxy)nitrobenzene Usage And Synthesis
| Chemical Properties | Light yellow liquid |
| Uses | 1-Nitro-4-(trifluoromethoxy)benzene can be used to manufacture tobacco flavor. |
| Synthesis Reference(s) | Journal of the American Chemical Society, 109, p. 3708, 1987 DOI: 10.1021/ja00246a030 |
| Synthesis | 1394827-04-3 713-65-5 Potassium (4-(trifluoromethoxy)phenyl)trifluoroborate (49.4 mg, 0.25 mmol), bismuth nitrate (121.3 mg, 0.25 mmol), and anhydrous toluene (2.0 mL) were sequentially added to an oven-dried reaction tube fitted with a magnetic stirrer under argon protection. The reaction tube was placed in a microwave reactor and heated at 120 °C for 20 min. After completion of the reaction, the filtrate was filtered through a bed of diatomaceous earth with ethyl acetate (50 mL) and the filtrate was collected. The product solution was analyzed using GC-MS and subsequently concentrated by rotary evaporation and finally purified by preparative thin layer chromatography (TLC). The structure of the product was confirmed by mass spectrometry (MS), hydrogen nuclear magnetic resonance (1H NMR) and carbon nuclear magnetic resonance (13C NMR). |
| References | [1] Tetrahedron Letters, 2014, vol. 55, # 10, p. 1726 - 1728 |
4-(Trifluoromethoxy)nitrobenzene Preparation Products And Raw materials
| Raw materials | Carbon tetrachloride-->Hydrogen fluoride-->BIS(TRIFLUOROMETHYL)PEROXIDE-->2-(Trifluoromethoxy)nitrobenzene-->Potassium4-(trifluoromethoxy)phenyltrifluoroborate-->Toluene-->3-(Trifluoromethoxy)nitrobenzene-->Bismuth nitrate pentahydrate-->(Trifluoromethoxy)benzene-->Nitrobenzene |
| Preparation Products | 3-BROMO-4-(TRIFLUOROMETHOXY)ANILINE-->3-BROMO-4-(TRIFLUOROMETHOXY)PHENOL-->4-(Trifluoromethoxy)aniline-->2-Bromo-4-nitro-1-(trifluoromethoxy)benzene |
