Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Perfluorooctyl iodide
HEPTADECAFLUORO-1-IODOOCTANE · 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-8-iodooctane · Perfluoro-1-iodooctane · TI-8 · C1014NH7 · uorooctyL · 1-IODOPERFLUOROOCTANE · PERFLUOROOCTYL IODIDE
식별자 및 물리적 특성
| CAS No. | 507-63-1 |
|---|---|
| 분자식 | C8F17I |
| 평균 분자량 | 545.96 g/mol |
| 단동위원소 질량 | 545.87733 g/mol |
| SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I |
| InChIKey | KWXGJTSJUKTDQU-UHFFFAOYSA-N |
| PubChem CID | 10491 |
| EC No. | 208-079-5 |
| DTXSID | DTXSID0060147 |
화학 및 물리적 성질
| XLogP | 6.8 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 17 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 26 |
| 형식 전하 | 0 |
| 복잡도 | 527 |
| Physical Description | LiquidClear light pink solid or liquidmp = 25 deg C[Acros Organics MSDS] |
| 녹는점 | 25 °C |
| 끓는 점 | 160-161 °C(lit.) |
| 밀도 | 2.067 g/mL at 20 °C(lit.) |
| 굴절률 | n20/D 1.329(lit.) |
| 인화점 | 160-161°C |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| 용해도 | 클로로포름, 아세트산에틸(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 녹은 후에 액체 |
| 색상 | 투명한 무색~노란색 또는 연한 분홍색 |
| BRN | 1717141 |
| InChI | 1S/C8F17I/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26 |
| InChIKey | KWXGJTSJUKTDQU-UHFFFAOYSA-N |
| SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I |
| NIST | Perfluorooctyl iodide(507-63-1) |
| EPA | Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo- (507-63-1) |
화학적 성질
clear light pink liquid after melting
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 10.8% (7 of 65) of reports.WarningH315 (78.5%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (78.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (76.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H413 (10.8%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 65 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 7 of 65 reports by companies.There are 9 notifications provided by 58 of 65 reports by companies with hazard statement code(s).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. |
|---|---|
| 규제 정보 | Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)S - indicates a substance that is identified in a final Significant New Use Rule.Substance: Heptadecafluoro-1-iodooctaneEC: 208-079-5Date of inclusion in the POPs Regulation: 15-Jun-2020POPs Regulation Annex: Annex I, part AAnnex IV |
| 유해성 요약 | Intravenous LD50 (mouse) = 7,500 mg/kg[RTECS] An irritant[Acros Organics MSDS] See Perfluoromethylcyclohexane. |
| Hazard Classes and Categories | Skin Irrit. 2 (78.5%)Eye Irrit. 2 (78.5%)STOT SE 3 (76.9%)Aquatic Chronic 4 (10.8%)Hazardous to the aquatic environment (Long-term) - Category 4 |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | RG9700050 |
| 운송 번호(UN) | UN 2922 |
| 독성 | LD50 ivn-mus: 7500 mg/kg MIVRA6 8,320,74 |
| 관세 코드 | 29037800 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36-37/39 |
| 포장분류 | III |
| 위험 등급 | 6.1(b)Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| F 고인화성물질 | 8 |
| 위험 참고 사항 | Harmful |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
Perfluorooctyl Iodide is a perfluoroalkyl iodide used in organocatalysis via substrate activation by halogen bonding. Perfluorooctyl Iodide is a potential candidate substitute for banned Halon fire extinguishers.