2-브로모에틸-2-에틸-1,3-디옥소란
2-(2-브로모에틸)-1,3-다이옥솔레인 · 2-브로모에틸-2-에틸-1,3-디옥소란 · 2-(2-브로모에틸)-1,3-디옥솔란 · Bromoethyldioxolane · 2KG · )-1,3-dioxoL · 2-(2-BromoethyL · 2-(2-Bromoethyl)-1,3
식별자 및 물리적 특성
| CAS No. | 18742-02-4 |
|---|---|
| 분자식 | C5H9BrO2 |
| 평균 분자량 | 181.03 g/mol |
| 단동위원소 질량 | 179.97859163 g/mol |
| SMILES | BrCCC1OCCO1 |
| InChIKey | GGZQLTVZPOGLCC-UHFFFAOYSA-N |
| PubChem CID | 87776 |
| EC No. | 242-551-1 |
| DTXSID | DTXSID40172058 |
| 현지명 | 2-브로모에틸-2-에틸-1,3-디옥소란 |
화학 및 물리적 성질
| XLogP | 1 |
|---|---|
| 극성 표면적 | 18.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 61.4 |
| 끓는 점 | 68-70 °C8 mm Hg(lit.) |
| 밀도 | 1.542 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.479(lit.) |
| 인화점 | 149 °F |
| 저장 조건 | 2-8°C |
| 용해도 | 클로로포름(적게), 에틸아세테이트(약간)에 용해됨 |
| 물리적 상태 | 투명한 액체 |
| 비중 | 1.541.542 |
| 색상 | 갈색-노란색 |
| 용해도 | 섞일 수 없음 |
| BRN | 103516 |
| InChI | 1S/C5H9BrO2/c6-2-1-5-7-3-4-8-5/h5H,1-4H2 |
| InChIKey | GGZQLTVZPOGLCC-UHFFFAOYSA-N |
| SMILES | BrCCC1OCCO1 |
| NIST | 2-(2-Bromoethyl)-1,3-dioxolane(18742-02-4) |
화학적 성질
Clear colorless to yellow or brown liquid
안전 및 규제
| GHS 분류 | DangerH301 (76.4%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 55 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 14-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/165211,3-Dioxolane, 2-(2-bromoethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 3 (76.4%) |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 2810 6.1/PG 3 |
| 관세 코드 | 29329990 |
| 위험 문구(R) | 22-36/37/38 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 26-37/39 |
| 포장분류 | Ⅲ |
| 위험 등급 | 6.1Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| F 고인화성물질 | 8-9 |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
용도
용도
2-(2-Bromoethyl)-1,3-dioxolane is used as a pharmaceutical intermediate, dioxolanes, acetals, ketals, building blocks, chemical synthesis, organic building blocks and oxygen compounds. 1,1-(Ethylenedioxy)-3-bromopropane is used in the synthesis of EGFR inhibitors. Also used in the synthesis of orally active agents of cancer and cell proliferation with quinoline substructures. It is also used as flavouring agent.
일반 설명
Copper-catalyzed borylation of 2-(2-bromoethyl)-1,3-dioxolane with bis(pinacolato)diboron followed by treatment with potassium bifluoride affords the key organotrifluoroborate reagent.