Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
3-피리딜아미독심
3-피리딜아미독심 · 3-피리딜아마이독심 · AKOS B030080 · Nicotinamidoxime · BUTTPARK 33\04-45 · nicotinamide oxime · 3-Pyridylamidoxime · RARECHEM BG FB 0128
식별자 및 물리적 특성
| CAS No. | 1594-58-7 |
|---|---|
| 분자식 | C6H7N3O |
| 평균 분자량 | 137.14 g/mol |
| 단동위원소 질량 | 137.05891186 g/mol |
| SMILES | NC(=NO)c1cccnc1 |
| InChIKey | AQBMQGDKWIPBRF-UHFFFAOYSA-N |
| PubChem CID | 308113 |
| EC No. | 625-116-4 |
| 현지명 | 3-피리딜아미독심 |
화학 및 물리적 성질
| XLogP | -0.1 |
|---|---|
| 극성 표면적 | 71.5 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 135 |
| 녹는점 | 130-135 °C (lit.) |
| 끓는 점 | 278.2±32.0 °C(Predicted) |
| 밀도 | 1.31±0.1 g/cm3(Predicted) |
| 인화점 | >230 °F |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| 용해도 | DMF: 25 mg/mlDMSO: 15 mg/mlEthanol: 3 mg/mlPBS (pH 7.2): 1.5 mg/ml |
| 물리적 상태 | powder to crystal |
| pKa(산도 계수) | 13.22±0.50(Predicted) |
| 색상 | 흰색에서 밝은 노란색 |
| InChI | InChI=1S/C6H7N3O/c7-6(9-10)5-2-1-3-8-4-5/h1-4,10H,(H2,7,9) |
| InChIKey | AQBMQGDKWIPBRF-UHFFFAOYSA-N |
| SMILES | C1=NC=CC=C1C(NO)=N |
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 (97.8%): 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 46 reports by companies from 6 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. 2A (100%)STOT SE 3 (97.8%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29333990 |
| 위험 문구(R) | 36/37/38-34 |
| 위험 표시 | Xi,C |
| 안전 문구(S) | 26-36-37/39-36/37/39 |
| 위험 등급 | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
3-Pyridylamidoxime may be used in the synthesis of 3-(3-pyridyl)-5-trichloromethyl-1,2,4-oxadiazole.
일반 설명
3-Pyridylamidoxime (pyridine-3-amidoxime, Py-3-AO) can be synthesized from the reaction between hydroxylamine hydrochloride, sodium hydroxide and 3-cyanopyridine (dissolved in ethanol).