4-(Bis(p-tolyl)amino)benzaldehyde
4-(DI-P-TOLYLAMINO)BENZALDEHYDE · 4-DI-P-TO · 4-DI-P-TOLYAMINOBENALDEHYDE · 4-dimethylamine benzaldehyde · 4-(Di-p-Tlylamino)benzaldehyde · (4-(Di-p-tolyamino)benzaldehyde) · 4-[bis(p-tolyl)amino]benzaldehyde · 4-(Di-p-tolylamino)benzaldehyde>4,4'-(Di-p-tolylamino)benzaldehyde
식별자 및 물리적 특성
| CAS No. | 42906-19-4 |
|---|---|
| 분자식 | C21H19NO |
| 평균 분자량 | 301.4 g/mol |
| 단동위원소 질량 | 301.14666423 g/mol |
| SMILES | Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=O)cc2)cc1 |
| InChIKey | XCGLXUJEPIVZJM-UHFFFAOYSA-N |
| PubChem CID | 170701 |
| EC No. | 255-996-1 |
| DTXSID | DTXSID6068432 |
화학 및 물리적 성질
| XLogP | 5.4 |
|---|---|
| 극성 표면적 | 20.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 23 |
| 형식 전하 | 0 |
| 복잡도 | 336 |
| 녹는점 | 109 °C |
| 끓는 점 | 470.5±45.0 °C(Predicted) |
| 밀도 | 1.138±0.06 g/cm3(Predicted) |
| 저장 조건 | under inert gas (nitrogen or Argon) at 2-8°C |
| 용해도 | almost transparency in hot Acetonitrile |
| 물리적 상태 | powder to crystal |
| pKa(산도 계수) | -4.76±0.50(Predicted) |
| 색상 | Light yellow to Amber to Dark green |
| InChI | InChI=1S/C21H19NO/c1-16-3-9-19(10-4-16)22(20-11-5-17(2)6-12-20)21-13-7-18(15-23)8-14-21/h3-15H,1-2H3 |
| InChIKey | XCGLXUJEPIVZJM-UHFFFAOYSA-N |
| SMILES | C(=O)C1=CC=C(N(C2=CC=C(C)C=C2)C2=CC=C(C)C=C2)C=C1 |
| EPA | Benzaldehyde, 4-[bis(4-methylphenyl)amino]- (42906-19-4) |
화학적 성질
Light yellow - yellow-green powder
안전 및 규제
| GHS 분류 | WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Eye Irrit. 2 (100%) |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 2922.39.4500 |
용도
용도
Smart materials with tunable multiple-color emissions have been widely investigated in the fields of bioimaging, display, and information encryption. Multicolor emissive molecules with hydrazone bridged triphenylamines and pyridinium groups can be produced from 4-Di-p-tolylamino-benzaldehyde.4-Di-p-tolylamino-benzaldehyde (0.603 g, 2 mmol) and 2-Hydrazinopyridine (0.442 g, 4 mmol) were stirred in 15 mL methanol at 90 °C for 24 h. After cooling to room temperature, the yellow crude product is extracted and filtered directly. Then yellow rod-like crystals were obtained by recrystallization in ethanol[1].