Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
7-아세톡시-4-(브로모메틸)쿠마린
BR-MAC · TIMTEC-BB SBB001217 · 7-ACETOXY-4-BROMOMETHYLCOUMARIN · 4-BROMOMETHYL-7-ACETOXY-COUMARIN · 7-Acetyloxy-4-bromomethylcoumarin · 4-(BROMOMETHYL)UMBELLIFERYL ACETATE · 4-BROMOMETHYL-7-ACETOXYCOUMARIN 98+% · [4-(bromomethyl)-2-oxochromen-7-yl] acetate
식별자 및 물리적 특성
| CAS No. | 2747-04-8 |
|---|---|
| 분자식 | C12H9BrO4 |
| 평균 분자량 | 297.1 g/mol |
| 단동위원소 질량 | 295.96842 g/mol |
| SMILES | CC(=O)Oc1ccc2c(CBr)cc(=O)oc2c1 |
| InChIKey | YDJFMNSSDOXBSR-UHFFFAOYSA-N |
| PubChem CID | 188296 |
| EC No. | 620-658-8 |
| DTXSID | DTXSID10181894 |
| 현지명 | 7-아세톡시-4-(브로모메틸)쿠마린 |
화학 및 물리적 성질
| XLogP | 2.2 |
|---|---|
| 극성 표면적 | 52.6 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 17 |
| 형식 전하 | 0 |
| 복잡도 | 364 |
| 녹는점 | 180-182°C |
| 끓는 점 | 414.4±45.0 °C(Predicted) |
| 밀도 | 1.589±0.06 g/cm3(Predicted) |
| 용해도 | soluble in Chloroform, Ethyl Acetate |
| 물리적 상태 | powder to crystal |
| 색상 | 흰색에서 밝은 노란색 |
화학적 성질
7-ACETOXY-4-BROMOMETHYLCOUMARIN is Off-White Crystalline Solid
안전 및 규제
| GHS 분류 | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 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 Corr. 1B (100%)Eye Dam. 1 (100%) |
| 운송 번호(UN) | 1759 |
| 관세 코드 | 2932.20.4500 |
| 위험 문구(R) | 34 |
| 위험 표시 | C |
| 안전 문구(S) | 22-26-36/37/39-45-27 |
| 포장분류 | III |
| 위험 등급 | 8 |
용도
용도
7-ACETOXY-4-BROMOMETHYLCOUMARIN is a fluorescent reagent used for labelling carboxylic acids