Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1-Ethyl-4-ethynylbenzene
CH3CH2C6H4C≡CH · 4-Ethylethynylbenzene · 4-Ethylpenylacetylene · p-Ethylethynylbenzene · 4-ETHYLPHENYLACETYLENE · P-ETHYLPHENYLACETYLENE · 1-ETHYL-4-ETHYNYL-BENZENE · 4-Ethylphenylacetylene97%
식별자 및 물리적 특성
| CAS No. | 40307-11-7 |
|---|---|
| 분자식 | C10H10 |
| 평균 분자량 | 130.19 g/mol |
| 단동위원소 질량 | 130.07825032 g/mol |
| SMILES | C#Cc1ccc(CC)cc1 |
| InChIKey | ZNTJVJSUNSUMPP-UHFFFAOYSA-N |
| PubChem CID | 142425 |
| EC No. | 609-817-2 |
| DTXSID | DTXSID00193320 |
화학 및 물리적 성질
| XLogP | 3 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 129 |
| 끓는 점 | 30 °C/0.05 mmHg (lit.) |
| 밀도 | 0.930 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.5420(lit.) |
| 인화점 | 160 °F |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색~연황색 |
| InChI | 1S/C10H10/c1-3-9-5-7-10(4-2)8-6-9/h1,5-8H,4H2,2H3 |
| InChIKey | ZNTJVJSUNSUMPP-UHFFFAOYSA-N |
| SMILES | CCc1ccc(cc1)C#C |
화학적 성질
Yellow liquid
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 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 Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.6%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN 3334 |
| 관세 코드 | 29029090 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 16-26-36-37/39 |
| 위험 등급 | 9Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
Intermediates of Liquid Crystals
일반 설명
1-Ethyl-4-ethynylbenzene undergoes homocoupling reaction in the presence of copper(I) chloride (catalyst) and air (oxidant) to yield symmetrical 1,4-disubstituted 1,3-diyne.