|
|
| | 4-Hydroxy-3-nitrobenzotrifluoride Basic information |
| | 4-Hydroxy-3-nitrobenzotrifluoride Chemical Properties |
| Boiling point | 92-94 °C12 mm Hg(lit.) | | density | 1.473 g/mL at 25 °C(lit.) | | refractive index | n20/D 1.504(lit.) | | Fp | 203 °F | | storage temp. | Inert atmosphere,Room Temperature | | pka | 5.53±0.14(Predicted) | | form | Liquid | | color | Yellow to orange | | BRN | 2215510 | | InChI | 1S/C7H4F3NO3/c8-7(9,10)4-1-2-6(12)5(3-4)11(13)14/h1-3,12H | | InChIKey | XZEDEVRSUANQEM-UHFFFAOYSA-N | | SMILES | Oc1ccc(cc1[N+]([O-])=O)C(F)(F)F | | CAS DataBase Reference | 400-99-7(CAS DataBase Reference) | | EPA Substance Registry System | Phenol, 2-nitro-4-(trifluoromethyl)- (400-99-7) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-37/39-36 | | WGK Germany | 3 | | RTECS | GP2984950 | | TSCA | TSCA listed | | HazardClass | IRRITANT | | HS Code | 29089990 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 | | Toxicity | LD50 ipr-mus: 800 mg/kg JPMSAE 57,1763,68 |
| | 4-Hydroxy-3-nitrobenzotrifluoride Usage And Synthesis |
| Uses | 2-Nitro-4-(trifluoromethyl)phenol has been used in the synthesis of 2-methyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]propionic acid ethyl ester. | | General Description | 2-Nitro-4-(trifluoromethyl)phenol is the major product of solution phase photodecomposition of fluorodifen. | | Safety Profile | Moderately toxic byintraperitoneal route. When heated to decomposition itemits toxic vapors of NOx and Fí. | | Synthesis | Example 1: 400 mL of methanol, 20 g of dodecyldimethylbenzylammonium chloride and 180 g of 4-chloro-3-nitrobenzotrifluoride were added to a reaction flask with stirring turned on. Subsequently, 400 g of 50% sodium hydroxide solution was slowly added dropwise, with the dropwise acceleration controlled to raise the reaction temperature to 70°C in about 20 minutes. The reaction mixture was continued stirring at 65°C for 4 hours. Upon completion of the reaction, the mixture was cooled in an ice water bath and the pH was adjusted with concentrated hydrochloric acid to 3. 2-Nitro-4-trifluoromethylphenol was isolated by steam distillation, and about 50 mL of concentrated hydrochloric acid was added to the receiver to facilitate phase separation. After gas chromatographic analysis, 156 g of 2-nitro-4-trifluoromethylphenol was obtained with a purity of >98.5% and a yield of 91% of the theoretical value. The boiling point of the product was 92 °C-95 °C (15 mmHg) and the refractive index nD20 was 1.5020. | | References | [1] Patent: US4225731, 1980, A |
| | 4-Hydroxy-3-nitrobenzotrifluoride Preparation Products And Raw materials |
|