Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
에틸디아조아세토아세테이트
에틸디아조아세토아세테이트 · Ethyl diazoacetoacetate · Ethyl 2-diazoacetoacetate · 2-Diazo-3-oxobutyric acid ethyl · azaylethylacetic acidethyl ester · 2-Diazoacetoacetic acid ethyl ester · 2-Diazo-3-oxobutyric acid ethyl ester · 3-Oxo-2-diazobutanoic acid ethyl ester
식별자 및 물리적 특성
| CAS No. | 2009-97-4 |
|---|---|
| 분자식 | C6H8N2O3 |
| 평균 분자량 | 156.14 g/mol |
| 단동위원소 질량 | 156.05349212 g/mol |
| SMILES | CCOC(=O)C(=[N+]=[N-])C(C)=O |
| InChIKey | JWTPSIXYXYNAOU-UHFFFAOYSA-N |
| PubChem CID | 538206 |
| EC No. | 626-053-5 |
| 현지명 | 에틸디아조아세토아세테이트 |
화학 및 물리적 성질
| XLogP | 0.6 |
|---|---|
| 극성 표면적 | 45.4 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 228 |
| 끓는 점 | 102-103 °C(Press: 12 Torr) |
| 밀도 | 1.131 g/mL at 25 °C (lit.) |
| 증기압 | 0.36 psi ( 20 °C) |
| 굴절률 | n20/D 1.474(lit.) |
| 인화점 | 185 °F |
| 저장 조건 | Storage temp. 2-8°C |
| 물리적 상태 | liquid |
| InChI | 1S/C6H8N2O3/c1-3-11-6(10)5(8-7)4(2)9/h3H2,1-2H3 |
| InChIKey | JWTPSIXYXYNAOU-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C(=[N+]=[N-])C(C)=O |
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 (100%): 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 40 reports by companies from 3 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 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29270000 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 위험 등급 | Eye Irrit. 2Self-react. CSkin Irrit. 2STOT SE 3 |
| 저장 분류 | 5.2 - Organic peroxides and self-reacting hazardous materials |
용도
일반 설명
Ethyl diazoacetoacetate is a diazo compound. It participates in Rh2(OAc)4-catalyzed reactions with arylalkylamines and diarylamines. Reaction of ethyl diazoacetoacetate with N-methyl pyrrole and pyrrole derivatives has been studied.