Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2,7-DIBROMO-9H-카바졸
2,7-DIBROMO-9H-카바졸 · 2,7-DIBROMO-9H-CARBAZOLE · 2,7-Dibromocarbazole · KFC · 2-Bromocarbazole-D7 · CAS:136630-39-2 · 2,7-DibromocarbazoL · 2,7-Dibrom-9H-carbazol
식별자 및 물리적 특성
| CAS No. | 136630-39-2 |
|---|---|
| 분자식 | C12H7Br2N |
| 평균 분자량 | 325 g/mol |
| 단동위원소 질량 | 322.89452342 g/mol |
| SMILES | Brc1ccc2c(c1)[nH]c1cc(Br)ccc12 |
| InChIKey | QPTWWBLGJZWRAV-UHFFFAOYSA-N |
| PubChem CID | 11151503 |
| ChEMBL | CHEMBL5076872 |
| ChEBI | CHEBI:203771 |
| EC No. | 679-869-9 |
| DTXSID | DTXSID70457082 |
| 현지명 | 2,7-DIBROMO-9H-카바졸 |
화학 및 물리적 성질
| XLogP | 4.8 |
|---|---|
| 극성 표면적 | 15.8 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 15 |
| 형식 전하 | 0 |
| 복잡도 | 222 |
| SpringerMaterials Properties | Chemical shift |
| 녹는점 | 230.0 to 234.0 °C |
| 끓는 점 | 459.0±25.0 °C(Predicted) |
| 밀도 | 1.930±0.06 g/cm3(Predicted) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | powder to crystal |
| pKa(산도 계수) | 15.13±0.30(Predicted) |
| 색상 | 흰색에서 밝은 노란색 |
| InChI | InChI=1S/C12H7Br2N/c13-7-1-3-9-10-4-2-8(14)6-12(10)15-11(9)5-7/h1-6,15H |
| InChIKey | QPTWWBLGJZWRAV-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC(Br)=C2)C2=C1C=C(Br)C=C2 |
화학적 성질
White to light yellow powder or crystals
안전 및 규제
| GHS 분류 | DangerH301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (97.6%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | 2811 |
| 관세 코드 | 29339900 |
| 위험 문구(R) | 25-36/37/38 |
| 위험 표시 | T |
| 안전 문구(S) | 26-45-36/37/39 |
| 포장분류 | Ⅲ |
| 위험 등급 | 6.1Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects |
용도
개요
2,7-dibromocarbazole, also known as 2,7-dibromo-9H-carbazole, is a building block for the synthesis of small molecules of carbazole series or carbazole back-boned polymers in the application of OFETs, OLEDs, PLEDs and OPVs.
일반 설명
2,7-Dibromocarbazole (2,7-DBCZ) is an emerging environmental pollutant. Due to its dioxin-like toxicity, cardiovascular toxicity and cardiac teratogenic effects, it poses a potentially high risk to human health.