2,7-DI-Tert-butyl-9,9-dimethyl-4,5-xanthenedicarboxylic acid
2,7-di-t-butyl-9,9-dimethyl-4,5-xanthenedicarboxylic acid · 2,7-di-tert-butyl-9,9-dimethyl-4,5-xanthenedicarboxylic ac · 2,7-di-tert-butyl-9,9-dimethylxanthene-4,5-dicarboxylic ac. · 2,7-DI-TERT-BUTYL-9,9-DIMETHYLXANTHENE-4,5-DICARBOXYLIC ACID · 2,7-Di-tert-butyl-9,9-dimethyl-4,5-xanthenedicarboxylic acid · 2,7-Di-tert-butyl-9,9-dimethyloxaanthane-4,5-dicarboxylic acid · 2,7-Di-tert-butyl-9,9-dimethylxanthene-4,5-dicarboxylic acid 98% · 2,7-Di-tert-butyl-9,9-diMethyl-9H-xanthene-4,5-dicarboxylic acid
식별자 및 물리적 특성
| CAS No. | 130525-39-2 |
|---|---|
| 분자식 | C25H30O5 |
| 평균 분자량 | 410.5 g/mol |
| 단동위원소 질량 | 410.20932406 g/mol |
| SMILES | CC(C)(C)c1cc(C(=O)O)c2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(C(=O)O)c1O2 |
| InChIKey | VJSNHUACDSJJCU-UHFFFAOYSA-N |
| PubChem CID | 3293914 |
| DTXSID | DTXSID60391148 |
화학 및 물리적 성질
| XLogP | 6.7 |
|---|---|
| 극성 표면적 | 83.8 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 30 |
| 형식 전하 | 0 |
| 복잡도 | 627 |
| 녹는점 | 307-309 °C |
| 끓는 점 | 513.4±50.0 °C(Predicted) |
| 밀도 | 1.159±0.06 g/cm3(Predicted) |
| pKa(산도 계수) | 3.19±0.40(Predicted) |
| BRN | 4210983 |
| InChI | 1S/C25H30O5/c1-23(2,3)13-9-15(21(26)27)19-17(11-13)25(7,8)18-12-14(24(4,5)6)10-16(22(28)29)20(18)30-19/h9-12H,1-8H3,(H,26,27)(H,28,29) |
| InChIKey | VJSNHUACDSJJCU-UHFFFAOYSA-N |
| SMILES | CC(C)(C)c1cc(C(O)=O)c2Oc3c(cc(cc3C(C)(C)c2c1)C(C)(C)C)C(O)=O |
안전 및 규제
| 수질 위해 등급(WGK) | 3 |
|---|---|
| 안전 문구(S) | 22-24/25 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
2,7-Di-tert-butyl-9,9-dimethylxanthene-4,5-dicarboxylic acid may be used in the synthesis of 2,7-di-tert-butyl-9,9-dimethyl-4,5-bis(4-tritylanilinocarbon-yl)-9H-xanthene methanol trisolvate monohydrate.
일반 설명
2,7-Di-tert-butyl-9,9-dimethylxanthene-4,5-dicarboxylic acid is a carboxylic acid building block.