CAS Number67515-59-7
Synonyms3-trifluoromethyl-4-fluorobenzonitrile; 4-Fluoro-3-(trifluoromethyl)benzonitrile; NCR DF CXFFF; 4-fluoro-3-(trifluoromethyl)benzenecarbonitrile; 4-fluoro-3-trifluoromethylbenzonitrile; MFCD00061284; 5-Cyano-2-fluorobenzotrifluoride; α,α,α,4-Tetrafluoro-m-tolunitrile; 4-cyano-(2-trifluoromethyl)fluorobenzene
Molecular FormulaC8H3F4N
Molecular Weight189.110
Purity98%
Density1.4±0.1 g/cm3
Boiling Point202.5±35.0 °C at 760 mmHg
Melting Point66 °C
Appearanceoff-white crystal
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 67515-59-7 |
| Catalog No. | 2A-9005767 |
| Chinese Name | 4-氟-3-三氟甲基苯甲腈 |
| Synonyms | 3-trifluoromethyl-4-fluorobenzonitrile; 4-Fluoro-3-(trifluoromethyl)benzonitrile; NCR DF CXFFF; 4-fluoro-3-(trifluoromethyl)benzenecarbonitrile; 4-fluoro-3-trifluoromethylbenzonitrile; MFCD00061284; 5-Cyano-2-fluorobenzotrifluoride; α,α,α,4-Tetrafluoro-m-tolunitrile; 4-cyano-(2-trifluoromethyl)fluorobenzene |
| Molecular Formula | C8H3F4N |
| Molecular Weight | 189.110 |
| Purity | 98 |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 202.5±35.0 °C at 760 mmHg |
| Melting Point | 66 °C |
| Appearance | off-white crystal |
| Storage Condition | Store in a sealed container in a cool, dry place. |
| Packaging | III |
| HTC | 2926909090 |
| SMILES | N#Cc1ccc(F)c(C(F)(F)F)c1 |
| InChI | InChI=1S/C8H3F4N/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3H |
| InChI Key | CQZQCORFYSSCFY-UHFFFAOYSA-N |
| Hazard Symbols | 6.1 |
| MSDS | msds/5767_1_67515_59_7.pdf |
| Use of | health and chemical hazard data given on this sheet. Storage: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 Not specified Appearance: Boiling point:No data Melting point:No data Flash point:No data Molecular formula: C8H3F4N Molecular weight: 189.1 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 Proper shipping name: NITRILES, TOXIC, SOLID, N.O.S. (4-Fluoro-3-trifluoromethylbenzonitrile) 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 T,Xi,Xn RIDADR 3276 Packaging Group III Hazard Class 6.1 HS Code 2926909090 Synthetic Route Total: 1 Page 4-Fluoro-3-(tri... CAS#:2357-47-3 4-Fluoro-3-(tri... CAS#:67515-59-7 Literature: Synthetic Communications, , vol. 26, # 8 p. 1575 - 1578 Precursor & DownStream Precursor 1 CAS#:2357-47-3 4-Fluoro-3-(tri... DownStream 2 CAS#:213598-16-4 4-isopropoxy-3-... CAS#:904311-38-2 4-(Methylsulfon... |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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