Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
트리플루오로아세토니트릴
트리플루오로아세토니트릴 · CF3CN · TIFLUOROACETONITRILE · Cyanotrifluoromethane · TRIFLUOROACETONITRILE · perfluoroacetonitrile · trifluoro-acetonitril · trifluoroethanenitrile
식별자 및 물리적 특성
| CAS No. | 353-85-5 |
|---|---|
| 분자식 | C2F3N |
| 평균 분자량 | 95.02 g/mol |
| 단동위원소 질량 | 94.99828349 g/mol |
| SMILES | N#CC(F)(F)F |
| InChIKey | SFFUEHODRAXXIA-UHFFFAOYSA-N |
| PubChem CID | 67710 |
| EC No. | 206-542-6 |
| DTXSID | DTXSID1059862 |
| 현지명 | 트리플루오로아세토니트릴 |
화학 및 물리적 성질
| XLogP | 1.1 |
|---|---|
| 극성 표면적 | 23.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 6 |
| 형식 전하 | 0 |
| 복잡도 | 82 |
| Physical Description | Liquefied gas[MSDSonline] |
| Kovats Retention Index | 246 |
| 녹는점 | -144.42°C |
| 끓는 점 | -64 °C |
| 밀도 | 1.332±0.06 g/cm3(Predicted) |
| 비열 | Cp(gas): 0.82 J/(g·K), at 25℃ |
| NIST | Acetonitrile, trifluoro-(353-85-5) |
| EPA | Acetonitrile, trifluoro- (353-85-5) |
안전 및 규제
| GHS 분류 | DangerH280 (100%): Contains gas under pressuremay explode if heated [Warning Gases under pressure]H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]P260, P271, P284, P304+P340, P316, P320, P403+P233, P405, P410+P403, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 유해성 요약 | In confined space spill, may displace air and act as simple asphyxiantEvaporating liquid can cause frostbiteMay cause irritationHighly toxic by inhalation[MSDSonline] See NITRILES. |
| Hazard Classes and Categories | Press. Gas (Comp.) (100%)Acute Tox. 2 (100%) |
| 유해 작용 | Other Poison - Chemical Asphyxiant |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 1955 2.3 |
| 위험 문구(R) | 26 |
| 위험 표시 | T+,T |
| 안전 문구(S) | 38 |
| 위험 등급 | GAS, TOXIC |
| 위험 참고 사항 | Toxic |
제조 및 합성 방법
제조 방법
Trifluoroacetonitrile is prepared by dehydration reaction using trifluoroacetamide as raw material and polyphosphoric acid as solvent under the effect of phosphorus pentoxide dehydrating agent.