Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 4425751생성일: 2026년 10월 26일
2,2,2-트리플루오로에탄티오아미드
2,2,2-트리플루오로에탄티오아미드 · Trifluorothioacetamide · EthanethioaMide, 2,2,2-trifluoro- · 2,2,2-TrifluoroethanethioacetaMide · 2,2,2-Trifluorothioacetamide, tech.
https://huagongshe.com/ko/chemical/4425751
식별자 및 물리적 특성
| CAS No. | 421-52-3 |
|---|
| 분자식 | C2H2F3NS |
|---|
| 평균 분자량 | 129.11 g/mol |
|---|
| 단동위원소 질량 | 128.98600473 g/mol |
|---|
| SMILES | NC(=S)C(F)(F)F |
|---|
| InChIKey | VZBAIMIVLDKBTE-UHFFFAOYSA-N |
|---|
| PubChem CID | 4425751 |
|---|
| EC No. | 676-337-8 |
|---|
| DTXSID | DTXSID60403159 |
|---|
| 현지명 | 2,2,2-트리플루오로에탄티오아미드 |
|---|
화학 및 물리적 성질
| XLogP | 0.9 |
|---|
| 극성 표면적 | 58.1 |
|---|
| 수소 결합 공여자 수 | 1 |
|---|
| 수소 결합 수용자 수 | 4 |
|---|
| 회전 가능 결합 수 | 0 |
|---|
| 무거운 원자 수 | 7 |
|---|
| 형식 전하 | 0 |
|---|
| 복잡도 | 85 |
|---|
| 녹는점 | 42-43 °C(Solv: ethyl ether (60-29-7)) |
|---|
| 끓는 점 | 40 °C(Press: 2 Torr) |
|---|
| 밀도 | 1.49 |
|---|
| 굴절률 | 1.434 |
|---|
| 저장 조건 | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
|---|
| pKa(산도 계수) | 11.02±0.29(Predicted) |
|---|
| InChI | InChI=1S/C2H2F3NS/c3-2(4,5)1(6)7/h(H2,6,7) |
|---|
| InChIKey | VZBAIMIVLDKBTE-UHFFFAOYSA-N |
|---|
| SMILES | C(N)(=S)C(F)(F)F |
|---|
안전 및 규제
| GHS 분류 | WarningH302 (13.6%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (13.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (13.6%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (86.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (13.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (13.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 22 reports by companies from 5 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. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (13.6%)Skin Irrit. 2 (13.6%)Skin Sens. 1 (86.4%)Eye Irrit. 2 (100%)STOT SE 3 (13.6%) |
|---|
| 관세 코드 | 2930909899 |
|---|
| 위험 등급 | IRRITANT |
|---|
