헥사플로로벤젠
헥사플로로벤젠 · 헥사플루오로벤젠 · PERFLUOROBENZENE · 1,2,3,4,5,6-Hexafluorobenzene · CP28 · 1,2,3,4,5,6-hexafluoro-benzene · CP 28 · hexafluoro-benzen
식별자 및 물리적 특성
| CAS No. | 392-56-3 |
|---|---|
| 분자식 | C6.F6 |
| 평균 분자량 | 186.05 g/mol |
| 단동위원소 질량 | 185.99041932 g/mol |
| SMILES | Fc1c(F)c(F)c(F)c(F)c1F |
| InChIKey | ZQBFAOFFOQMSGJ-UHFFFAOYSA-N |
| PubChem CID | 9805 |
| ChEBI | CHEBI:38589 |
| EC No. | 206-876-2 |
| DTXSID | DTXSID5043924 |
| 현지명 | 헥사플로로벤젠 |
화학 및 물리적 성질
| XLogP | 2.5 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 104 |
| 물질 분류 | Other Classes -> Halogenated Monoaromatics |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP(분배 계수) | 2.22 |
| 밀도 | 1.61 @ 20°C1.612 g/mL at 25 °C (lit.) |
| 증기압 | 84.5 [mmHg] |
| Physical Description | Liquid[Hawley] Colorless clear liquidMelting point = 3.7-41 deg C[MSDSonline] |
| 녹는점 | 3.7-4.1 °C (lit.) |
| 끓는 점 | 80-82 °C (lit.) |
| 굴절률 | n20/D 1.377(lit.) |
| 인화점 | 50 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | 액체 |
| 색상 | 무색투명~미황색 |
| 비중 | 1.612 |
| 용해도 | 물과 섞이지 않습니다. |
| 비열 | Cp(liquid): 1.19 J/(g·K), at 25℃ |
| Merck | 14,4686 |
| BRN | 1683438 |
| 헨리 상수 | 3.0×10-4 mol/(m3Pa) at 25℃, Brockbank (2013) |
| 유전율 | 2.0499999999999998 |
| 안정성 | 안정적인. 강한 산화제와 호환되지 않습니다. 가열되면 폭발할 수 있는 전이 금속과 복합체를 형성할 수 있습니다. 가연성이 높습니다. |
| InChI | 1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9 |
| InChIKey | ZQBFAOFFOQMSGJ-UHFFFAOYSA-N |
| SMILES | Fc1c(F)c(F)c(F)c(F)c1F |
| NIST | Benzene, hexafluoro-(392-56-3) |
| EPA | Benzene, hexafluoro- (392-56-3) |
화학적 성질
colourless liquid
안전 및 규제
| GHS 분류 | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 76 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Benzene, hexafluoro-: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | An irritant[MSDSonline] See Hexachlorobenzene. |
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| Protective Action Criteria (PAC) | 50 [mg/m3]550 [mg/m3]3300 [mg/m3] |
| Toxicity Data | LC50 (mice) = 95,000 mg/m3/2h |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | DA3050000 |
| 운송 번호(UN) | UN 1993 3/PG 2 |
| 독성 | guinea pig,LCLo,inhalation,11800ppm/4H (11800ppm),BEHAVIORAL: ATAXIASENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYELUNGS, THORAX, OR RESPIRATION: OTHER CHANGES,National Technical Information Service. Vol. OTS0571186, |
| 관세 코드 | 29039990 |
| 위험 문구(R) | 11-36/37/38 |
| 위험 표시 | F,Xi |
| 안전 문구(S) | 16-33-7/9-29-26-37/39 |
| 포장분류 | II |
| 위험 등급 | 3Flam. Liq. 2 |
| 기존화학 물질 | KE-18539 |
| F 고인화성물질 | 10 |
| 위험 참고 사항 | Highly Flammable |
| 저장 분류 | 3 - Flammable liquids |
용도
개요
Hexafluorobenzene, HFB, C6F6, or perfluorobenzene is an organic, aromatic compound. In this derivative of benzene all hydrogen atoms have been replaced by fluorine atoms. The technical uses of the compound are limited, although it is recommended as a solvent in a number of photochemical reactions. In the laboratory hexafluorobenzene is used as standard in fluorine-19 NMR spectroscopy, solvent and standard in carbon-13 NMR, solvent in proton NMR, solvent when studying some parts in the infrared and solvent in ultraviolet–visible spectroscopy, as hexafluorobenzene itself hardly shows any absorbance in the UV region.
용도
Hexafluorobenzene is used as a solvent in photochemical reactions. It is also used as a reference compound in fluorine-19 NMR, carbon-13 NMR. It is used as a solvent in proton NMR, IR spectrum and UV-spectra. It is used as anticorrosive, antifriction and anti-tumor agents. Further, it is used as a reference molecule to investigate tissue oxygenation in vivo studies. It forms series of 1:1 complexes with naphthalene, anthracene, phenanthrene, pyrene and triphenylene.
일반 설명
Hexafluorobenzene was repoted to be a sensitive 19F NMR indicator of tumor oxygenation. Rotational Raman spectra of hexafluorobenzenehas been studied under high resolution using a single mode argon laser as the exciting source. Hexafluorobenzene in the gas phase reacts spontaneously with lithium amalgam, to give a solid and intimate mixture of lithium fluoride and elemental polymeric carbon with a small amount of superstoichiometric lithium. Hexafluorobenzene forms series of 1:1 complexes with naphthalene, anthracene,phenanthrene, pyrene and triphenylene.