Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1-에틸닐-4-페녹시벤젠
1-에틸닐-4-페녹시벤젠 · -4-phenoxybenzene · (4-Phenyloxyphenyl)ethyne · 1-Ehynyl-4-phenoxybenzene · 1-Ethynyl-4-phenoxybenzene · 4'-PHENOXYPHENYL ACETYLENE · 1-(4-ethynylphenoxy)benzene · Benzene, 1-ethynyl-4-phenoxy-
식별자 및 물리적 특성
| CAS No. | 4200-06-0 |
|---|---|
| 분자식 | C14H10O |
| 평균 분자량 | 194.23 g/mol |
| 단동위원소 질량 | 194.07316494 g/mol |
| SMILES | C#Cc1ccc(Oc2ccccc2)cc1 |
| InChIKey | LKMNQDOAPYPSNH-UHFFFAOYSA-N |
| PubChem CID | 12788024 |
| EC No. | 626-025-2 |
| DTXSID | DTXSID40509865 |
| 현지명 | 1-에틸닐-4-페녹시벤젠 |
화학 및 물리적 성질
| XLogP | 3.7 |
|---|---|
| 극성 표면적 | 9.2 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 15 |
| 형식 전하 | 0 |
| 복잡도 | 223 |
| 녹는점 | 284℃ (decomposition) |
| 끓는 점 | 90-95 °C0.4 mm Hg(lit.) |
| 밀도 | 1.074 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.6060(lit.) |
| 인화점 | >230 °F |
| 저장 조건 | Store at room temperature |
| InChI | 1S/C14H10O/c1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13/h1,3-11H |
| InChIKey | LKMNQDOAPYPSNH-UHFFFAOYSA-N |
| SMILES | C#Cc1ccc(Oc2ccccc2)cc1 |
안전 및 규제
| GHS 분류 | DangerH317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P261, P264+P265, P272, P273, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, 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. 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 Sens. 1 (97.6%)Eye Dam. 1 (97.6%)Aquatic Chronic 4 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 위험 문구(R) | 41-43 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 위험 등급 | Aquatic Chronic 4Eye Dam. 1Skin Sens. 1 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
1-Ethynyl-4-phenoxybenzene can be used for Sonogashira coupling reactions.