2-시아노아세트아미드
사이아노아세트아마이드 · 2-시아노아세트아마이드 · 2-시아노아세트아미드 · 시아노아세트아미드 · CYANOACETAMIDE · ACETAMIDE, 2-CYANO- · Cyanacetamide · CYAC
식별자 및 물리적 특성
| CAS No. | 107-91-5 |
|---|---|
| 분자식 | C3H4N2O |
| 평균 분자량 | 84.08 g/mol |
| 단동위원소 질량 | 84.03236275 g/mol |
| SMILES | N#CCC(N)=O |
| InChIKey | DGJMPUGMZIKDRO-UHFFFAOYSA-N |
| PubChem CID | 7898 |
| ChEMBL | CHEMBL2333142 |
| EC No. | 203-531-8 |
| DTXSID | DTXSID2051552 |
| 현지명 | 2-시아노아세트아미드 |
화학 및 물리적 성질
| XLogP | -1 |
|---|---|
| 극성 표면적 | 66.9 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 6 |
| 형식 전하 | 0 |
| 복잡도 | 98.6 |
| 물질 분류 | Nitrogen Compounds -> Nitriles |
| SpringerMaterials Properties | Boiling point |
| Color/Form | NEEDLES FROM ALCOHOLPLATES (WATER)WHITE POWDER |
| 용해도 | 1 G DISSOLVES IN 6.5 ML COLD WATER1.3 G @ 0 °C IN 100 ML OF 95% ALCOHOL3.1 G @ 26 °C IN 100 ML OF 95% ALCOHOL7.0 G @ 44 °C IN 100 ML OF 95% ALCOHOL14.0 G @ 62 °C IN 100 ML OF 95% ALCOHOL21.5 G @ 71 °C IN 100 ML OF 95% ALCOHOL냉수: 6.5ml에 1gm이 녹습니다. |
| 끓는 점 | BP: DECOMPOSES154.34°C (rough estimate) |
| 녹는점 | 119.5 °C121.5 °C119-121 °C(lit.) |
| Physical Description | White solid[Hawley] White powder[MSDSonline] |
| 밀도 | 1,4 g/cm3 |
| 굴절률 | 1.5110 (estimate) |
| 인화점 | 419 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| pKa(산도 계수) | -1.27±0.10(Predicted) |
| 물리적 상태 | 결정성 분말 |
| 색상 | 흰색에서 연한 크림 |
| 냄새 | 냄새 없는 |
| 용해도 | 녹는 |
| Merck | 14,2688 |
| BRN | 878221 |
| InChI | 1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6) |
| InChIKey | DGJMPUGMZIKDRO-UHFFFAOYSA-N |
| SMILES | NC(=O)CC#N |
| NIST | Acetamide, 2-cyano-(107-91-5) |
| EPA | 2-Cyanoacetamide (107-91-5) |
화학적 성질
White or light yellow needle crystal or powder. Slightly soluble in water, easily soluble in ethanol.
안전 및 규제
| GHS 분류 | WarningH302 (77.4%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 62 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Acetamide, 2-cyano-Status: Active Update: 26-05-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/11828Acetamide, 2-cyano-: Does not have an individual approval but may be used under an appropriate group standard |
| 화재 가능성 | SEE CYANIDES. MODERATE, BY CHEMICAL REACTION WITH HEAT, MOISTURE, ACID. /CYANIDES/ |
| 유해성 요약 | Emergency treatment: Cyanide[HSDB] Subcutaneous LD50 (guinea pig) = 1155 mg/kgCauses tremor and muscle contractions[RTECS] An irritantHarmful by ingestion, inhalation, or skin absorption[Aldrich MSDS] See NITRILES. |
| Toxic Combustion Products | SEE CYANIDES. EMIT HYDROCYANIC ACID. /CYANIDES/ |
| Hazard Classes and Categories | Acute Tox. 4 (77.4%) |
| Hazardous Reactivities and Incompatibilities | SEE CYANIDES. ON CONTACT WITH ACID, ACID FUMES, WATER OR STEAM, THEY WILL PRODUCE TOXIC & FLAMMABLE VAPORS. /CYANIDES/ |
| 보관 조건 | SEE CYANIDES. ...MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMP INTO TOXIC COMPONENTS...SHOULD BE STORED IN A COOL, WELL-VENTILATED PLACE, OUT OF DIRECT RAYS OF SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, & SHOULD BE PERIODICALLY INSPECTED... INCOMPATIBLE MATERIALS SHOULD BE ISOLATED FROM EACH OTHER. /CYANIDES/ |
| Preventive Measures | SEE CYANIDES. VENTILATION CONTROL: THE BASIC VENTILATION METHODS ARE LOCAL & EXHAUST VENTILATION & DILUTION (GENERAL) VENTILATION. /CYANIDES/ |
| Protective Action Criteria (PAC) |
용도
일반 설명
Cyanoacetamide is the starting reagent for vitamin B6 synthesis. It reacts with reducing carbohydrates in borate buffer to give intense fluorescence andis useful for the automated analysis of carbohydrates as borate complexes.
제조 및 합성 방법
제조 방법
Cyanoacetamide can be prepared from ethyl cyanoacetate and ammonia. Cool the ethyl cyanoacetate to below 200°C, add concentrated ammonia water to react, and the mixture turns from turbid to clear. After cooling in cold water for 20 minutes, a precipitate is precipitated. After filtration and drying, the crude product is obtained, and then the crude product of cyanoacetamide is added. In the boiling ethanol, after dissolving it, add a small amount of activated carbon for decolorization and purification, filter, cool the filtrate to separate out the precipitate, and dry it at 80-100 ℃ to obtain the fine cyanoacetamide.