Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
3-(헵타플루오로부티릴)-I-캠퍼
3-(헵타플루오로부티릴)-I-캠퍼 · 3-(PERFLUOROBUTYRYL)-I-CAMPHOR · 3-(perfluorobutyryl)-l-camphor · 3-(Heptafluorobutyryl)-I-camphor · 3-(heptafluorobutyryl)-L-camphor · 3-HEPTAFLUOROBUTYRYL-(-)-CAMPHOR · 3-(Perfluorobutyryl)-(-)-camphor, 98% · 3-(Heptafluorobutyryl)-L-camphor, 3-Heptafluorobutyryl-(-)-camphor
식별자 및 물리적 특성
| CAS No. | 115224-00-5 |
|---|---|
| 분자식 | C14H15F7O2 |
| 평균 분자량 | 348.26 g/mol |
| 단동위원소 질량 | 348.09602685 g/mol |
| SMILES | CC1(C)[C@H]2CC[C@]1(C)C(=O)C2C(=O)C(F)(F)C(F)(F)C(F)(F)F |
| InChIKey | PEWOESYEGLBLNR-NSMOOJLNSA-N |
| PubChem CID | 16211892 |
| EC No. | 623-236-1 |
| DTXSID | DTXSID50583510 |
| 현지명 | 3-(헵타플루오로부티릴)-I-캠퍼 |
화학 및 물리적 성질
| XLogP | 4.6 |
|---|---|
| 극성 표면적 | 34.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 9 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 23 |
| 형식 전하 | 0 |
| 복잡도 | 564 |
| PFAS | PFAS -> Other/unspecifiedPFAS -> OECD Category |
| 끓는 점 | 266.9±0.0 °C(Predicted) |
| 밀도 | 1.218 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.422(lit.) |
| 인화점 | 201 °F |
| pKa(산도 계수) | 7.94±0.60(Predicted) |
| BRN | 2306496 |
| InChI | 1S/C14H15F7O2/c1-10(2)6-4-5-11(10,3)8(22)7(6)9(23)12(15,16)13(17,18)14(19,20)21/h6-7H,4-5H2,1-3H3/t6-,7,11+/m0/s1 |
| InChIKey | PEWOESYEGLBLNR-NSMOOJLNSA-N |
| SMILES | CC1(C)C2CC[C@]1(C)C(=O)C2C(=O)C(F)(F)C(F)(F)C(F)(F)F |
| EPA | (1S,4S)-3-(Heptafluorobutyryl)camphor (115224-00-5) |
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
3-(Perfluorobutyryl)-()-camphor can be used:To prepare mesoporous metal-organichybrid materials, which are used as catalysts in the asymmetric hetero-Diels-Alder cyclization of Danishefsky′s diene with benzaldehydes.As a precursor in the synthesis of chiral tetrakis(β-diketonate) Ln(III) complexes.