Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
브로모아세트알데히드디메틸아세탈
브로모아세트알데히드디메틸아세탈 · 브로모아세트알데하이드 다이메틸 아세탈 · 2-BROMO-1,1-DIMETHOXYETHANE · BADA · Dimethylbromoacetal · BADMA · 2,2-Dimethoxybromoethane · 2-Brom-1,1-dimethoxyethan
식별자 및 물리적 특성
| CAS No. | 7252-83-7 |
|---|---|
| 분자식 | C4H9BrO2 |
| 평균 분자량 | 169.02 g/mol |
| 단동위원소 질량 | 167.97859 g/mol |
| SMILES | COC(CBr)OC |
| InChIKey | FUSFWUFSEJXMRQ-UHFFFAOYSA-N |
| PubChem CID | 81672 |
| EC No. | 230-669-6 |
| DTXSID | DTXSID2064608 |
| 현지명 | 브로모아세트알데히드디메틸아세탈 |
화학 및 물리적 성질
| XLogP | 0.9 |
|---|---|
| 극성 표면적 | 18.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 36 |
| 끓는 점 | 148-150 °C (lit.) |
| 밀도 | 1.43 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.445(lit.) |
| 인화점 | 129 °F |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 투명한 액체 |
| 색상 | Colorless to Light orange to Yellow |
| 비중 | 1.445 |
| 용해도 | 불용성 |
| BRN | 1280132 |
| InChI | InChI=1S/C4H9BrO2/c1-6-4(3-5)7-2/h4H,3H2,1-2H3 |
| InChIKey | FUSFWUFSEJXMRQ-UHFFFAOYSA-N |
| SMILES | C(OC)(OC)CBr |
| NIST | Ethane, 2-bromo-1,1-dimethoxy-(7252-83-7) |
| EPA | Ethane, 2-bromo-1,1-dimethoxy- (7252-83-7) |
화학적 성질
clear colourless to light yellow liquid
안전 및 규제
| GHS 분류 | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H315 (47.4%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (44.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 78 reports by companies from 10 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. |
|---|---|
| 규제 정보 | Chemical: Ethane, 2-bromo-1,1-dimethoxy- |
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Skin Irrit. 2 (47.4%)Eye Irrit. 2 (97.4%)STOT SE 3 (44.9%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 1989 3/PG 3 |
| 관세 코드 | 29110000 |
| 위험 문구(R) | 10-36-36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36/39-28A-16 |
| 포장분류 | III |
| 위험 등급 | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2 |
| F 고인화성물질 | 8-9-21 |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
2-Bromo-1,1-dimethoxyethane (Bromoacetaldehyde dimethyl acetal) was used in the synthesis of 2,3-O-acetal via reaction with 2,3-diol in the presence of 10-camphorsulphonic acid (CSA). 2-bromo-1,1-dimethoxyethane was used to react with 4-hydroxylbenzaldehyde, and finally aldehyde substituted prodrug was generated by TFA-mediated deacetalization.