Hydrazinecarboxylic acid, ethyl ester
ETHYL HYDRAZINECARBOXYLATE · Ethyl carbazinate · HYDRAZINOCARBOXYLIC ACID ETHYL ESTER · AKOS 90785 · ETHYL CARBAZATE · ethylecarbazate · ethylcarbazinate · Ethyl Carbazatecas
식별자 및 물리적 특성
| CAS No. | 4114-31-2 |
|---|---|
| 분자식 | C3H8N2O2 |
| 평균 분자량 | 104.11 g/mol |
| 단동위원소 질량 | 104.0585775 g/mol |
| SMILES | CCOC(=O)NN |
| InChIKey | VYSYZMNJHYOXGN-UHFFFAOYSA-N |
| PubChem CID | 20064 |
| EC No. | 223-903-3 |
| DTXSID | DTXSID1063308 |
화학 및 물리적 성질
| XLogP | -0.4 |
|---|---|
| 극성 표면적 | 64.4 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 64 |
| 녹는점 | 44-47 °C (lit.) |
| 끓는 점 | 108-110 °C/22 mmHg (lit.) |
| 밀도 | 1.2719 (rough estimate) |
| 굴절률 | 1.4715 (estimate) |
| 인화점 | 187 °F |
| 저장 조건 | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| pKa(산도 계수) | 10.72±0.20(Predicted) |
| 물리적 상태 | 가루 |
| 색상 | 흰색에서 크림색으로 |
| 용해도 | 물에 매우 잘 녹습니다. |
| BRN | 878265 |
| InChI | 1S/C3H8N2O2/c1-2-7-3(6)5-4/h2,4H2,1H3,(H,5,6) |
| InChIKey | VYSYZMNJHYOXGN-UHFFFAOYSA-N |
| SMILES | CCOC(=O)NN |
| NIST | Hydrazinecarboxylic acid, ethyl ester(4114-31-2) |
| EPA | Hydrazinecarboxylic acid, ethyl ester (4114-31-2) |
화학적 성질
Off-white crystals.
안전 및 규제
| GHS 분류 | DangerH300 (10.4%): Fatal if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (87.5%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | FE2545000 |
| 운송 번호(UN) | 2811 |
| 관세 코드 | 29280090 |
| 위험 문구(R) | 36/37/38-25 |
| 위험 표시 | Xi,T |
| 안전 문구(S) | 26-36-45 |
| 포장분류 | III |
| 위험 등급 | 6.1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Prepare 4-phenylurazole from ethyl carbazate and then oxidize the urazole with gaseous dinitrogen tetroxide to yield 4-phenyl-1,2,4-tri- azoline-3,5-dione la. Modification of the ethyl carbazate procedure in which analytically pure monoalkylhydrazine hydrochlorides were isolated in greater than 90% yield, starting from a ketone or aldehyde. Treatment of primary amines is with chloroamine or hydroxylamine-0-sulfonic acid and the condensation of a carbonyl compound with ethyl carbazate. The FeCl 3 -catalyzed reaction of ethyl carbazate (2 b) proceeded readily to give β-hydroxyester 3 b in better yield. A new one-pot neat synthesis of some 5-aryl-2,4-dihydro-3H-1,2,4-triazol-3-ones through cyclocondensation of ethyl carbazate with aryl nitriles catalyzed by DMAP as an efficient and basic nucleophilic catalyst is described.