퍼플루오로메틸사이클로헥산
퍼플루오로메틸사이클로헥산 · 1-(Trifluoromethyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane · FLUTEC PP2 · FLUTECR PP2 · Perfluor-(methylcyclohexan) · Perfluoro(methylcyclohexane) · PERFLUOROMETHYLCYCLOHEXANE 97+% · Perfluoro(methylcyclohexane)95%
식별자 및 물리적 특성
| CAS No. | 355-02-2 |
|---|---|
| 분자식 | C7F14 |
| 평균 분자량 | 350.05 g/mol |
| 단동위원소 질량 | 349.97764508 g/mol |
| SMILES | FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F |
| InChIKey | QIROQPWSJUXOJC-UHFFFAOYSA-N |
| PubChem CID | 9637 |
| EC No. | 206-573-5 |
| DTXSID | DTXSID5059874 |
| 현지명 | 퍼플루오로메틸사이클로헥산 |
화학 및 물리적 성질
| XLogP | 4.1 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 14 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 21 |
| 형식 전하 | 0 |
| 복잡도 | 411 |
| 물질 분류 | Other Classes -> Halogenated Cyclic Hydrocarbons |
| PFAS | PFAS -> Other/unspecifiedPFAS -> non-polymerPFAS -> OECD CategoryPFAS -> Cyclic PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008 |
| SpringerMaterials Properties | Boiling point |
| Physical Description | Colorless liquid[Alfa Aesar MSDS] |
| 녹는점 | -37 °C |
| 끓는 점 | 76 °C(lit.) |
| 밀도 | 1.80 g/mL at 20 °C |
| 증기압 | 14kPa at 25℃ |
| 굴절률 | n17/D 1.285(lit.) |
| 인화점 | 75-76°C |
| 저장 조건 | Refrigerator |
| 용해도 | 아세톤 및 벤젠과 혼합 가능. |
| 물리적 상태 | 기름 |
| 색상 | 무색 |
| 비중 | 1.787 |
| 비열 | Cp(liquid): 1.01 J/(g·K), at 25℃ |
| BRN | 1915981 |
| 유전율 | 1.8600000000000001 |
| 화장품 원료 기능 | 결합제흡착제유화 안정화피부 컨디셔닝고결방지제 |
| InChI | 1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12 |
| InChIKey | QIROQPWSJUXOJC-UHFFFAOYSA-N |
| SMILES | FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F |
| LogP(분배 계수) | 666 at 25℃ |
| EPA | Cyclohexane, 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)- (355-02-2) |
화학적 성질
CLEAR LIQUID
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 100% (23 of 23) of all reports.Not ClassifiedAggregated GHS information provided per 23 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Status: Active Update: 05-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24227 |
| 유해성 요약 | An irritant[Alfa Aesar MSDS] See Dodecafluorocyclohexane. |
| Hazard Classes and Categories | Not Classified |
| Toxicity Data | LCLo (rat) = 825 ppm/14hr |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | GV7610000 |
| 독성 | LCLo ihl-rat: 825 ppm/14H 11FYAN 3,90,63 |
| 관세 코드 | 29038900 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 24/25 |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
Perfluoro(methylcyclohexane) is used as a solvent to determine fluorophilicity of hydrocarbon and fluorocarbon-functionalized nicotinic acid esters. It combines with chloroform and acts as an ingredient for "fluorous" biphase reactions. Furthermore, it finds application as a heat transfer agent, a dielectric fluid and a perfluorocarbon tracer. It acts as a good solvent for gases.
일반 설명
Mixtures of chloroform and perfluoro(methylcyclohexane) can be used as solvents for "fluorous" biphase reactions. Gas-phase structure of perfluoro(methylcyclohexane) was investigated.