Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Dinaphtho(2,3-i:2',3'-i')benzo(1,2-a:4,5-a')dicarbazole-5,7,12,17,19,24(6H,18H)-hexone
C.I. 70805 · Yellow 3RT · VATYELLOW3R · vat orange 11 · Vat Yellow 3RT · C.I.VATORANGE11 · Vat Orange 11:1 · Convat Orange AA
식별자 및 물리적 특성
| CAS No. | 2172-33-0 |
|---|---|
| 분자식 | C42H18N2O6 |
| 평균 분자량 | 646.6 g/mol |
| 단동위원소 질량 | 646.1164863 g/mol |
| SMILES | O=c1c2ccccc2c(=O)c2c1ccc1c3ccc4c(=O)c5c(ccc6c7ccc8c(=O)c9ccccc9c(=O)c8c7[nH]c65)c(=O)c4c3[nH]c12 |
| InChIKey | CVWSULASWLZVCH-UHFFFAOYSA-N |
| PubChem CID | 75113 |
| EC No. | 218-524-5 |
| DTXSID | DTXSID8062232 |
화학 및 물리적 성질
| XLogP | 7.7 |
|---|---|
| 극성 표면적 | 134 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 50 |
| 형식 전하 | 0 |
| 복잡도 | 1,460 |
| 밀도 | 1.651 |
| pKa(산도 계수) | 11.90±0.20(Predicted) |
| 용해도 | 1μg/L at 20℃ |
| EPA | Dinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24(6H,18H)-hexone (2172-33-0) |
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 68.2% (15 of 22) of all reports.WarningH317 (31.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 22 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Dinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24-hexone, 6,18-dihydro-REACH registered substance: 6,18-dihydrodinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24-hexone (EC: 218-524-5)Dinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24(6H,18H)-hexone: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Skin Sens. 1B (31.8%) |
| TSCA 등재 상태 | TSCA listed |
| 기존화학 물질 | KE-08834 |
제조 및 합성 방법
제조 방법
1,5-Diaminoanthraquinoneand 1-Bromoanthracene-9,10-dione or 1-Chloroanthraquinone(2 Moore) condensation, product Potassium hydroxide with Aluminium chloride or cyclization, with Potassium permanganate again or Sodium hypochlorite oxidation.