Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Ethyl 3-furoate
Ethyl furan-3-carboxylate · ETHYL 3-FUROATE · Ethyl-3-fluroate · Ethyl 3-furoate,99% · RARECHEM AL BI 0196 · Ethyl 3-furoate 98% · Ethyl 3-furoate, GC 99% · ETHYL 3-FURANCARBOXYLATE
식별자 및 물리적 특성
| CAS No. | 614-98-2 |
|---|---|
| 분자식 | C7H8O3 |
| 평균 분자량 | 140.14 g/mol |
| 단동위원소 질량 | 140.04734411 g/mol |
| SMILES | CCOC(=O)c1ccoc1 |
| InChIKey | LOFDXZJSDVCYAS-UHFFFAOYSA-N |
| PubChem CID | 69201 |
| ChEBI | CHEBI:193961 |
| EC No. | 210-403-5 |
| DTXSID | DTXSID90210333 |
화학 및 물리적 성질
| XLogP | 1.8 |
|---|---|
| 극성 표면적 | 39.4 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 122 |
| 끓는 점 | 93-95 °C35 mm Hg(lit.) |
| 밀도 | 1.038 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.46(lit.) |
| 인화점 | 139 °F |
| 저장 조건 | 2-8°C |
| 용해도 | 클로로포름(소량으로 용해), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 투명한 액체 |
| 색상 | Colorless to Light orange to Yellow |
| InChI | InChI=1S/C7H8O3/c1-2-10-7(8)6-3-4-9-5-6/h3-5H,2H2,1H3 |
| InChIKey | LOFDXZJSDVCYAS-UHFFFAOYSA-N |
| SMILES | O1C=CC(C(OCC)=O)=C1 |
| LogP(분배 계수) | 1.780 |
화학적 성질
clear slightly yellow to yellow liquid
안전 및 규제
| GHS 분류 | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.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 | Flam. Liq. 3 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN 3272 3/PG 3 |
| 관세 코드 | 29321900 |
| 위험 표시 | Xi,H226 |
| 안전 문구(S) | 24/25 |
| 포장분류 | III |
| 위험 등급 | 3.2Flam. Liq. 3 |
| 위험 참고 사항 | Irritant/Keep Cold |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
Ethyl 3-furoate was used as starting reagent for the synthesis of ethyl 2,3-bis(trifluoromethyl)-7-oxabicyclo[2,2,1]hepta-2,5-diene-5-carboxylate and 4-(1-hydroxy-1-methyl-ethyl)-furan-2-sulfonamide.
일반 설명
Ethyl 3-furoate undergoes regioselective palladium(0)-catalyzed arylation reaction with aryl bromides.