CAS Number65754-26-9
Synonyms2-Nitro-4-(trifluoromethyl)toluene; 1-Methyl-2-nitro-4-(trifluoromethyl)benzene
Molecular FormulaO2NC6H3(CF3)CN
Molecular Weight216.12
Purity99%
Density1.4±0.1 g/cm3
Boiling Point156-158 °C/18 mmHg (lit.)
Melting Point44-47 °C (lit.)
Appearancesolid
EINECS212-298-1
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 65754-26-9 |
| Catalog No. | 2A-9080138 |
| Chinese Name | 1-甲基-2-硝基-4-(三氟甲苯)甲苯 |
| Synonyms | 2-Nitro-4-(trifluoromethyl)toluene; 1-Methyl-2-nitro-4-(trifluoromethyl)benzene |
| Molecular Formula | O2NC6H3(CF3)CN |
| Molecular Weight | 216.12 |
| Purity | 99 |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 156-158 °C/18 mmHg (lit.) |
| Melting Point | 44-47 °C (lit.) |
| Appearance | solid |
| Storage Condition | room temperature, dry |
| EINECS | 212-298-1 |
| HTC | 2904909090 |
| PubChem ID | 24859817 |
| MDL Number | MFCD00014684 |
| SMILES | [O-][N+](=O)c1cc(ccc1C#N)C(F)(F)F |
| InChI | 1S/C8H3F3N2O2/c9-8(10,11)6-2-1-5(4-12)7(3-6)13(14)15/h1-3H |
| InChI Key | BQCWLXXZTCLGSZ-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| MSDS | msds/80138_1_65754_26_9.pdf |
| Use of | health and chemical hazard data given on this sheet. Store in closed vessels. 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:C8H6F3NO2 Molecular weight:205.1 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. 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 2904909090 Synthetic Route Total: 1 Page 4-Methylbenzotr... CAS#:6140-17-6 2-Nitro-4-(trif... CAS#:65754-26-9 Literature: Kyorin Pharmaceutical Co., Ltd. Patent: US6562839 B1, 2003 ; US 6562839 B1 4-Methylbenzotr... CAS#:6140-17-6 Sulfuric acid CAS#:7664-93-9 2-Nitro-4-(trif... CAS#:65754-26-9 Literature: US5206257 A1, ; CAS#:1448038-13-8 (Trifluoromethy... CAS#:81290-20-2 2-Nitro-4-(trif... CAS#:65754-26-9 Literature: Hafner, Andreas; Braese, Stefan Advanced Synthesis and Catalysis, 2013 , vol. 355, # 5 p. 996 - 1000 Precursor & DownStream Precursor 3 CAS#:6140-17-6 4-Methylbenzotr... CAS#:7664-93-9 Sulfuric acid CAS#:81290-20-2 (Trifluoromethy... DownStream 2 CAS#:290825-52-4 DIMETHYL 2-(2-N... CAS#:25449-96-1 2-Methyl-5-(tri... |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 5.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
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