Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-브로모디벤조푸란
4-브로모디벤조푸란 · 4-Bromodibenzo[b,d]furan · DBF-Br · 4-BROMO-DIBENZOURAN · 4-BROMODIBENZOFURAN · Dibenzofuran, 4-bromo- · 4-Bromodibenzofuran >4-Bromo-dibenzofuran 97% · Tianfu chem 4-BROMODIBENZOFURAN
식별자 및 물리적 특성
| CAS No. | 89827-45-2 |
|---|---|
| 분자식 | C12H7BrO |
| 평균 분자량 | 247.09 g/mol |
| 단동위원소 질량 | 245.96803 g/mol |
| SMILES | Brc1cccc2c1oc1ccccc12 |
| InChIKey | DYTYBRPMNQQFFL-UHFFFAOYSA-N |
| PubChem CID | 458256 |
| EC No. | 804-402-4 |
| DTXSID | DTXSID80332492 |
| 현지명 | 4-브로모디벤조푸란 |
화학 및 물리적 성질
| XLogP | 4.8 |
|---|---|
| 극성 표면적 | 13.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 218 |
| Kovats Retention Index | 1865 |
| Collision Cross Section | 137.9 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs] |
| 녹는점 | 67-69℃ |
| 끓는 점 | 220 °C(Press: 40 Torr) |
| 밀도 | 1.577 |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | powder to crystal |
| 색상 | 흰색에서 밝은 노란색 |
| InChI | InChI=1S/C12H7BrO/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7H |
| InChIKey | DYTYBRPMNQQFFL-UHFFFAOYSA-N |
| SMILES | O1C2=CC=CC=C2C2=CC=CC(Br)=C12 |
화학적 성질
White Crysstalline
안전 및 규제
| GHS 분류 | WarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H413 (97.6%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 3 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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.6%)Eye Irrit. 2A (97.6%)Aquatic Chronic 4 (97.6%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29329990 |
| 위험 문구(R) | 22-36-53 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26 |
| 위험 등급 | Acute Tox. 4 OralAquatic Chronic 4Eye Irrit. 2 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Versatile scaffold to get entry to 4-substituted dibenzofuranes. Substituted dibenzofuranes have utility in semiconductors and OLED applications.