헥사플루오로아세톤 삼수화물
헥사플루오로아세톤삼수화물 · HEXAFLUOROACETONE HYDRATE · gc7787 · HFA·3H2O · Hexafluoroacet · uoroacetone trihydrate · Protirelin Impurity 12 · Perfluoroacetone hydrate
식별자 및 물리적 특성
| CAS No. | 34202-69-2 |
|---|---|
| 분자식 | C3H6F6O4 |
| 평균 분자량 | 220.07 g/mol |
| 단동위원소 질량 | 220.01702764 g/mol |
| SMILES | O.O.O.O=C(C(F)(F)F)C(F)(F)F |
| InChIKey | SNZAEUWCEHDROX-UHFFFAOYSA-N |
| PubChem CID | 36719 |
| EC No. | 629-519-6 |
| DTXSID | DTXSID201334105 |
| 현지명 | 헥사플루오로아세톤 삼수화물 |
화학 및 물리적 성질
| 극성 표면적 | 20.1 |
|---|---|
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 10 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 124 |
| 녹는점 | 18-21 °C(lit.) |
| 끓는 점 | 106-108 °C |
| 밀도 | 1.579 g/mL at 25 °C(lit.) |
| 증기압 | 87.5 psi ( 21 °C) |
| 굴절률 | n20/D 1.319(lit.) |
| 인화점 | 105-106°C |
| 저장 조건 | Store at room temperature |
| 용해도 | Completely soluble in water |
| 물리적 상태 | 액체 |
| 비중 | 1.579 |
| 색상 | 무색의 |
| Merck | 14,4685 |
| BRN | 607236 |
| InChI | InChI=1S/C3F6O.3H2O/c4-2(5,6)1(10)3(7,8)9/h3*1H2 |
| InChIKey | SNZAEUWCEHDROX-UHFFFAOYSA-N |
| SMILES | C(F)(F)(F)C(=O)C(F)(F)F.O.O.O |
안전 및 규제
| 수질 위해 등급(WGK) | 3 |
|---|---|
| TSCA 등재 상태 | Yes |
| RTECS 번호 | UC2700000 |
| 운송 번호(UN) | UN 2552 6.1/PG 2 |
| 관세 코드 | 2914790090 |
| 위험 문구(R) | 23/24/25-34-63 |
| 위험 표시 | T |
| 안전 문구(S) | 26-36/37/39-45 |
| 포장분류 | II |
| 위험 등급 | 6.1Acute Tox. 2 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Dam. 1Repr. 2Skin Corr. 1B |
| 위험 참고 사항 | Highly Toxic |
| 저장 분류 | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
용도
개요
Hexafluoroacetone trihydrate, also known as gem diol, hexafluoropropan-2,2- diol, is a covalent hydrate of the ketone. It could used as a structure stabilizer for peptides. It was a metabolite of aerosol propellant HFA-227 and is present in the urine. It was shown to undergo an efficient carbonyl-ene reaction with a variety of alkenes in the presence of molecular sieves under microwave heating and conventional heating producing hexafluoroisopropanol functionalized derivatives in high yields[1-2].
용도
Hexafluoroacetone trihydrate (HFA3H2O) is used to produce Sevoflurane,a high quality anesthetic and Bisphenol AF, a crosslinker for fluoroelastomers. It can also be used to produce various high-end fluorinated products such as fluorinated polyimide, etc.
일반 설명
Hexafluoroacetone trihydrate forms crystalline 1:1 complexes with imidazole 3-oxides.