Ethyl bromodifluoroacetate
2-broMo-2,2-difluoroacetate · EBDA · EBFA · 2-Bromo-2,2-difluoroacetic acid ethyl ester · bromodifL · Ethyl bromodifluoroa · Ethylbromdifluoracetat · Twoethyl broMidefluoride
식별자 및 물리적 특성
| CAS No. | 667-27-6 |
|---|---|
| 분자식 | C4H5BrF2O2 |
| 평균 분자량 | 202.98 g/mol |
| 단동위원소 질량 | 201.94409794 g/mol |
| SMILES | CCOC(=O)C(F)(F)Br |
| InChIKey | IRSJDVYTJUCXRV-UHFFFAOYSA-N |
| PubChem CID | 69585 |
| EC No. | 211-567-0 |
| DTXSID | DTXSID40216845 |
화학 및 물리적 성질
| XLogP | 1.6 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 115 |
| 끓는 점 | 112 °C/700 mmHg (lit.) |
| 밀도 | 1.583 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.387(lit.) |
| 인화점 | 70 °F |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| 용해도 | 대부분의 유기용매에 용해됩니다. |
| 물리적 상태 | 액체 |
| 색상 | 무색투명~미황색 |
| 비중 | 1.583 |
| BRN | 1906095 |
| InChI | InChI=1S/C4H5BrF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3 |
| InChIKey | IRSJDVYTJUCXRV-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)C(Br)(F)F |
| NIST | Ethyl bromodifluoroacetate(667-27-6) |
화학적 성질
clear colorless to slightly yellow liquid
안전 및 규제
| GHS 분류 | DangerH225 (96.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 54 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Status: Active Update: 28-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31053Acetic acid, bromodifluoro-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 2 (96.3%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | No |
| 운송 번호(UN) | UN 2924 3/PG 2 |
| 관세 코드 | 29159000 |
| 위험 문구(R) | 10-34-36 |
| 위험 표시 | C,F,Xi |
| 안전 문구(S) | 26-36/37/39-45-16-27 |
| 포장분류 | II |
| 위험 등급 | 3Flam. Liq. 2Skin Corr. 1B |
| 위험 참고 사항 | Irritant/Flammable |
| 저장 분류 | 3 - Flammable liquids |
용도
개요
Ethyl bromodifluoroacetate, a clear to yellow liquid, is an ester of bromodifluoroacetic acid and ethyl alcohol. It is an ester that can be used to introduce the CF2 group when synthesizing chemical compounds. Ethyl bromdifluoroacetate is considered to be a good compound in the generation of compounds and for testing with other organic compounds like lactones, imines, and other amino acids.
용도
Ethyl bromodifluoroacetate is usually used in the preparation of substituted ethyl 2′-pyridyldifluoroacetates,4-alkoxymethyl- and 4-aryloxymethyl-3,3-difluoropiperidines,α,α-difluoro-β-lactams,mono- and difluoromethylated phenanthridine derivatives.