에틸벤즈이미데이트염산염
에틸벤즈이미데이트염산염 · ETHYL BENZIMIDATE HCL · AzoMethine-H MonosodiuM · ethyl benzenecarboximidate · ETHYL BENZIMIDATE HYDROCHLORIDE · BENZIMIDIC ACID, ETHYL ESTER HCL · Ethylbenzimidatehydrochloride,97% · ethyl iminobenzoate hydrochloride
식별자 및 물리적 특성
| CAS No. | 5333-86-8 |
|---|---|
| 분자식 | C9H12ClNO |
| 평균 분자량 | 185.65 g/mol |
| 단동위원소 질량 | 185.06074168 g/mol |
| SMILES | CCOC(=N)c1ccccc1.Cl |
| InChIKey | MODZVIMSNXSQIH-UHFFFAOYSA-N |
| PubChem CID | 79249 |
| EC No. | 226-248-1 |
| DTXSID | DTXSID4063791 |
| 현지명 | 에틸벤즈이미데이트염산염 |
화학 및 물리적 성질
| 극성 표면적 | 33.1 |
|---|---|
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 128 |
| 녹는점 | ~125 °C (dec.) |
| 저장 조건 | under inert gas (nitrogen or Argon) at 2-8°C |
| 용해도 | DMSO(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 고체 |
| 색상 | 하얀색 |
| 용해도 | 물에 용해됩니다. |
| BRN | 3697589 |
| InChI | 1S/C9H11NO.ClH/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7,10H,2H2,1H3 |
| InChIKey | MODZVIMSNXSQIH-UHFFFAOYSA-N |
| SMILES | Cl[H].CCOC(=N)c1ccccc1 |
| EPA | Benzenecarboximidic acid, ethyl ester, hydrochloride (5333-86-8) |
화학적 성질
White to white crystalline
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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 11 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 2925199590 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26 |
| F 고인화성물질 | 9-21 |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Ethyl benzimidate hydrochloride is used in the preparation of (4R)-ethyl 2-phenyl-4,5-dihydrothiazole-4-carboxylate by reacting with (R)-ethyl cysteine hydrochloride. It also reacts with D-penicillamine methyl ester hydrochloride and triethylamine to prepare methyl-5,5- dimethyl-2-phenyl-2-thiazoline-4-carboxylate. Further, it is used as an intermediate for organic synthesis.
일반 설명
Ethyl benzimidate hydrochloride reacts with (R)-ethyl cysteine hydrochloride in ethanol to yield (4R)-ethyl 2-phenyl-4,5-dihydrothiazole-4-carboxylate. It reacts with D-Penicillamine methyl ester hydrochloride and triethylamine to yield methyl-5,5- dimethyl-2-phenyl-2-thiazoline-4-carboxylate.