디플르오르벤조알데히드(2,6-)
디플르오르벤조알데히드(2,6-) · 2,6-다이플루오로벤즈알데하이드 · TIMTEC-BB SBB006685 · 2,6-Difluorobenzalde · 2-6-Difluorbenzaldehyd · 2,6-fluorobenzaldehyde · 2,6-DIFLUOROBENZALDEHYDE · 2,6-difluorobenzaledehyde
식별자 및 물리적 특성
| CAS No. | 437-81-0 |
|---|---|
| 분자식 | C7H4F2O |
| 평균 분자량 | 142.1 g/mol |
| 단동위원소 질량 | 142.02302107 g/mol |
| SMILES | O=Cc1c(F)cccc1F |
| InChIKey | SOWRUJSGHKNOKN-UHFFFAOYSA-N |
| PubChem CID | 136284 |
| EC No. | 610-142-0 |
| DTXSID | DTXSID40195909 |
| 현지명 | 디플르오르벤조알데히드(2,6-) |
화학 및 물리적 성질
| XLogP | 1.6 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 117 |
| 녹는점 | 15-17 °C (lit.) |
| 끓는 점 | 82-84 °C/15 mmHg (lit.) |
| 밀도 | 1.317 g/mL at 25 °C (lit.) |
| 증기압 | 40.1-900hPa at 94.5-189℃ |
| 굴절률 | n20/D 1.502(lit.) |
| 인화점 | 164 °F |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 액체 |
| 비중 | 1.317 |
| 색상 | 맑은 노란색에서 밝은 노란색까지 |
| BRN | 1935273 |
| InChI | 1S/C7H4F2O/c8-6-2-1-3-7(9)5(6)4-10/h1-4H |
| InChIKey | SOWRUJSGHKNOKN-UHFFFAOYSA-N |
| SMILES | Fc1cccc(F)c1C=O |
| LogP(분배 계수) | 1.46 at 25℃ and pH2 |
| 표면장력 | 73.1mN/m at 1g/L and 20℃ |
화학적 성질
clear light yellow to bright yellow liquid
안전 및 규제
| GHS 분류 | WarningH315 (94.2%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (94.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (92.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 52 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Chemical: Benzaldehyde, 2,6-difluoro-Status: Active Update: 14-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33390 |
| Hazard Classes and Categories | Skin Irrit. 2 (94.2%)Eye Irrit. 2A (94.2%)STOT SE 3 (92.3%) |
| 수질 위해 등급(WGK) | 2 |
| 관세 코드 | 29130000 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36/37/39-37/39-36/37 |
| 위험 등급 | IRRITANTAquatic Chronic 3Eye Dam. 1Skin Corr. 1C |
| 기존화학 물질 | KE-10541 |
| F 고인화성물질 | 10-23 |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
용도
용도
2,6-Difluorobenzaldehyde can be used as a reactant to synthesize: 5-Cyano-6-(2,6-difluorophenyl)-5,6-dihydro-2-thiouracil via one-pot cyclocondensation reaction with ethyl cyanoacetate and thiourea. 1-(2,6-Difluorobenzyl)-2-(2,6-difluorophenyl)-benzimidazole by reacting with 1,2-phenylenediamine in the presence of a catalytic amount of p-toluenesulfonic acid.(3E)-4-(2,6-Difluorophenyl)-3-buten-2-one by Wittig olefination reaction with acetylmethylidenetriphenyl phosphorane.Methyl 4-fluorobenzo[b]thiophene-2-carboxylate by treating with methyl thioglycolate in the presence of K2CO3.