2-Chloro-5-nitrobenzotrifluoride CAS 777-37-7
2-Chloro-5-nitrobenzotrifluoride Basic information
| Product Name: | 2-Chloro-5-nitrobenzotrifluoride |
| Synonyms: | 2-Chloro-5-nitrobenzotrifluoride 98%;2-Chloro-5-nitrobenzotrifluoride98%;2-chloro-5-nitro trifluoromethylbenzene;2-chloro-5-nitrobenzotrifuoride;Nitro-2-(trifluoromethyl)chlorobenzene;2-Chloro-5-nitro-1-trifluoromethylbenzene;1-Chloro-2-(trifluoromethyl)-4-nitrobenzene;1-Chloro-4-nitro-6-trifluoromethylbenzene |
| CAS: | 777-37-7 |
| MF: | C7H3ClF3NO2 |
| MW: | 225.55 |
| EINECS: | 212-287-1 |
| Product Categories: | Trifluoromethylbenzene serise;API Intermediate;alkyl chloride| nitro-compound |
| Mol File: | 777-37-7.mol |
2-Chloro-5-nitrobenzotrifluoride Chemical Properties
| Melting point | 22°C |
| Boiling point | 108 °C/10 mmHg (lit.) |
| density | 1.527 g/mL at 25 °C (lit.) |
| refractive index | n |
| Fp | 210 °F |
| storage temp. | Sealed in dry,Room Temperature |
| form | powder to lump to clear liquid |
| Specific Gravity | 1.527 |
| color | White or Colorless to Yellow |
| FreezingPoint | 20.0 to 23.0 ℃ |
| BRN | 2216169 |
| Exposure limits | ACGIH: TWA 2.5 mg/m3 NIOSH: IDLH 250 mg/m3 |
| InChI | 1S/C7H3ClF3NO2/c8-6-2-1-4(12(13)14)3-5(6)7(9,10)11/h1-3H |
| InChIKey | HQROXDLWVGFPDE-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1ccc(Cl)c(c1)C(F)(F)F |
| CAS DataBase Reference | 777-37-7(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzene, 1-chloro-4-nitro-2-(trifluoromethyl)-(777-37-7) |
| EPA Substance Registry System | 2-Chloro-5-nitrobenzotrifluoride (777-37-7) |
Safety Information
| Hazard Codes | Xn,Xi |
| Risk Statements | 22-36/37/38-20/21/22 |
| Safety Statements | 26-36/37/39-36 |
| RIDADR | 2810 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29039990 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Chemical Properties | Clear colourless to light yellow liquid |
| Uses | 2-Chloro-5-nitrobenzotrifluoride is a polysubstituted organic fluorotoluene analogue. Its molecular structure has a reactive group chlorine atom at the 2-position and a nitro group at the 5-position. Therefore, the substance has high chemical reactivity and is widely used in the field of organic synthesis. It can be used to prepare asymmetric and symmetric diamine monomers containing trifluoromethyl groups, which in turn can be used to further prepare soluble polyimide, a multifunctional molecular material[1]. |
| Synthesis | 88-16-4 777-37-7 1) 400 g of o-chlorobenzotrifluoride (Feedstock I) was added to Preheating Module 2. Concentrated sulfuric acid (Feedstock II) and concentrated nitric acid (Feedstock III) were added to Preheating Module 1 for mixing and preheating, respectively. Subsequently, feedstocks I, II and III were introduced into the reaction module set for nitrification reaction. The flow rate of feedstock I was controlled to be 15 mL/min, the flow rate of feedstock II to be 18 mL/min, and the flow rate of feedstock III to be 11.5 mL/min by adjusting the flow pump. the reaction temperature was maintained at 60°C. The reaction temperature was maintained at 60°C. The flow rate of feedstock I was controlled to be 15 mL/min. The molar ratio of o-chlorobenzotrifluoride to nitric acid was 1:1.2, and the mass ratio of concentrated nitric acid to concentrated sulfuric acid was 1:4.0, and the reaction residence time was 55 seconds. The temperature of the cooling module was set to 25°C. The reaction solution at the outlet of the cooling module was collected for liquid-liquid separation. The product was combined with the organic phase by adding 270 mL of dichloromethane to the acid phase. It was washed with saturated sodium bicarbonate solution to neutrality and subsequently dried with anhydrous sodium sulfate. After evaporation of the solvent under reduced pressure, 480.36 g of 2-chloro-5-nitrobenzotrifluoride was obtained as a yellow oil. The yield was 96.13% and the purity was 99.29%. |
| References | [1] SUN DAL KIM . Soluble polyimides with trifluoromethyl pendent groups[J]. Polymer, 2013. DOI:10.1016/j.polymer.2013.08.057. |
2-Chloro-5-nitrobenzotrifluoride Preparation Products And Raw materials
| Raw materials | 4-Chloro-alpha,alpha,alpha-trifluoro-m-toluidine-->2-Chlorobenzotrifluoride |
| Preparation Products | 6fapbp-->2-chloro-1-nitro-3-(trifluoromethyl)benzene-->BENZENE, 5-BROMO-1,2-DICHLORO-3-(TRIFLUOROMETHYL)--->1-(4-NITRO-2-TRIFLUOROMETHYLPHENYL)-PIPERAZINE-->4,4'-OXYBIS[3-(TRIFLUOROMETHYL)BENZENAMINE] |
