Pentafluorobenzaldehyde
2,3,4,5,6-PENTAFLUOROBENZALDEHYDE · PERFLUOROBENZALDEHYDE · PENTAFLUORBENZALDEHYDE · PENTAFLUOROBENZALDEHYDE · Benzaldehyde, pentafluoro- · Pentafluorobenzaldehyde>Pentafluorobenzaldehyde 98% · Pentafluorobenzaldehyde ,97% · Pentafluorobenzaldehyde, 98+%
식별자 및 물리적 특성
| CAS No. | 653-37-2 |
|---|---|
| 분자식 | C7HF5O |
| 평균 분자량 | 196.07 g/mol |
| 단동위원소 질량 | 195.99475575 g/mol |
| SMILES | O=Cc1c(F)c(F)c(F)c(F)c1F |
| InChIKey | QJXCFMJTJYCLFG-UHFFFAOYSA-N |
| PubChem CID | 69558 |
| EC No. | 211-502-6 |
| DTXSID | DTXSID4022101 |
화학 및 물리적 성질
| XLogP | 1.9 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 183 |
| 녹는점 | 24-28 °C(lit.) |
| 끓는 점 | 164-166 °C(lit.) |
| 밀도 | 1.588 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.45(lit.) |
| 인화점 | 172 °F |
| 저장 조건 | Inert atmosphere,2-8°C |
| 물리적 상태 | 녹은 후에 액체 |
| 비중 | 1.588 |
| 색상 | 맑은 노란색 |
| 용해도 | 물에 거의 녹지 않습니다(25°C에서 0.027g/L). |
| BRN | 1876550 |
| InChI | InChI=1S/C7HF5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h1H |
| InChIKey | QJXCFMJTJYCLFG-UHFFFAOYSA-N |
| SMILES | C(=O)C1=C(F)C(F)=C(F)C(F)=C1F |
화학적 성질
Freshly distilled pentafluorobenzaldehyde is a colourless liquid with a strong odour; clear yellowish liquid after melting; a lachrymator; soluble in common organic solvents and practically insoluble in water.
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, 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 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | CU7542000 |
| 운송 번호(UN) | UN 2810 6.1/PG 3 |
| 관세 코드 | 29130000 |
| 위험 문구(R) | 20/22-36/37/38-20 |
| 위험 표시 | Xn,F,Xi |
| 안전 문구(S) | 26-37/39 |
| 포장분류 | III |
| 위험 등급 | 6.1Acute Tox. 4 InhalationEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
용도
용도
Pentafluorobenzaldehyde was used as derivatization reagent in a study to develop a sensitive method for the determination of primary amines in sewage sludge by headspace solid-phase micro extraction and gas chromatography-tandem mass spectrometry. It was used in the synthesis of novel, high molecular weight fluorinated aromatic polymers.
일반 설명
2,3,4,5,6-Pentafluorobenzaldehyde reacts with 5-(aryl)dipyrromethanes to form a variety of meso-aryl [26]hexaphyrins.