Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
TERT-부틸(R)-(+)-4-FORMYL-2,2-DIMETHYL-3-OXAZOLIDINECARBOXYLATE
TERT-부틸(R)-(+)-4-FORMYL-2,2-DIMETHYL-3-OXAZOLIDINECARBOXYLATE · tert-butyl (R)-4-formyl-2,2-dimethyloxazolidine-3-carboxylate · tert-butyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate · (R)-3-tert-butoxycarbonyl-4-formyl-2,2-dimethyloxazolidine · (R)-TERT-BUTYL 4-FORMYL-2,2-DIMETHYLOXAZOLIDINE-3-CARBOXYLATE · tert-Butyl (4R)-4-formyl-2,2-dimethyl-oxazolidine-3-carboxylate · tert-Butyl (R) · R-Garner'saldehyde
식별자 및 물리적 특성
| CAS No. | 95715-87-0 |
|---|---|
| 분자식 | C11H19NO4 |
| 평균 분자량 | 229.27 g/mol |
| 단동위원소 질량 | 229.13140809 g/mol |
| SMILES | CC(C)(C)OC(=O)N1[C@@H](C=O)COC1(C)C |
| InChIKey | PNJXYVJNOCLJLJ-QMMMGPOBSA-N |
| PubChem CID | 178792 |
| EC No. | 627-510-1 |
| DTXSID | DTXSID70914847 |
| 현지명 | TERT-부틸(R)-(+)-4-FORMYL-2,2-DIMETHYL-3-OXAZOLIDINECARBOXYLATE |
화학 및 물리적 성질
| XLogP | 1 |
|---|---|
| 극성 표면적 | 55.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 16 |
| 형식 전하 | 0 |
| 복잡도 | 293 |
| 끓는 점 | 67 °C/0.3 mmHg(lit.) |
| 밀도 | 1.06 g/mL at 25 °C(lit.) |
| 굴절률 | 1.445-1.447 |
| 인화점 | 107 °C |
| 저장 조건 | under inert gas (nitrogen or Argon) at 2-8°C |
| 용해도 | 클로로포름, 디클로로메탄, 에틸아세테이트에 용해됨 |
| pKa(산도 계수) | -3.26±0.60(Predicted) |
| 물리적 상태 | 기름 |
| 색상 | 무색~담황색 |
| BRN | 3651554 |
| InChI | InChI=1S/C11H19NO4/c1-10(2,3)16-9(14)12-8(6-13)7-15-11(12,4)5/h6,8H,7H2,1-5H3/t8-/m0/s1 |
| InChIKey | PNJXYVJNOCLJLJ-QMMMGPOBSA-N |
| SMILES | O1C[C@H](C=O)N(C(OC(C)(C)C)=O)C1(C)C |
화학적 성질
Clear pale yellow oil
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 42 reports by companies from 5 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 | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29349990 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 37/39-26-36-60-37-23 |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
Intermediate in the preparation of various enzymatic inhibitors.