Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Butylurea
BUTYLUREA · butyl-ure · NCI-C02131 · UREA,BUTYL- · 1-Butylurea · N-BUTYLUREA · monobutylurea · urea,N-butyl-
식별자 및 물리적 특성
| CAS No. | 592-31-4 |
|---|---|
| 분자식 | C5H12N2O |
| 평균 분자량 | 116.16 g/mol |
| 단동위원소 질량 | 116.094963 g/mol |
| SMILES | CCCCNC(N)=O |
| InChIKey | CNWSQCLBDWYLAN-UHFFFAOYSA-N |
| PubChem CID | 11595 |
| ChEMBL | CHEMBL3182932 |
| EC No. | 209-748-4 |
| DTXSID | DTXSID6020222 |
화학 및 물리적 성질
| XLogP | 0.4 |
|---|---|
| 극성 표면적 | 55.1 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 72.8 |
| 물질 분류 | Nitrogen Compounds -> Urea Compounds |
| SpringerMaterials Properties | Boiling point |
| LogP(분배 계수) | 0.41 |
| 냄새 | ODORLESS |
| Color/Form | TABLETS FROM WATERNEEDLES FROM BENZENEWHITE SOLID |
| 용해도 | 10 to 50 mg/mL at 64 °F (NTP, 1992)VERY SOL IN WATER, ALCOHOLSOL IN ETHER메탄올에 용해됨 |
| 녹는점 | 205 °F (NTP, 1992)96 °C95-98 °C (lit.) |
| 증기압 | 0.03 [mmHg] |
| Physical Description | N-butylurea is an odorless white solid. (NTP, 1992)White odorless solid[Hawley] |
| Other Experimental Properties | DECOMPOSES ON HEATING |
| 끓는 점 | 217.23°C (rough estimate) |
| 밀도 | 1.0551 (rough estimate) |
| 굴절률 | 1.4432 (estimate) |
| 저장 조건 | Refrigerator |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 14.38±0.46(Predicted) |
| 색상 | 하얀색 |
| 용해도 | 녹는 |
| BRN | 1744775 |
| InChI | 1S/C5H12N2O/c1-2-3-4-7-5(6)8/h2-4H2,1H3,(H3,6,7,8) |
| InChIKey | CNWSQCLBDWYLAN-UHFFFAOYSA-N |
| SMILES | CCCCNC(N)=O |
| NIST | Urea, butyl-(592-31-4) |
| EPA | Butylurea (592-31-4) |
화학적 성질
WHITE TO ALMOST WHITE CRYSTALLINE POWDER
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 85 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| 화재 위험 | Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992) |
| 건강 유해성 | ACUTE/CHRONIC HAZARDS: This compound emits toxic fumes when heated to decomposition. (NTP, 1992) |
| 유해성 요약 | A CNS depressant[ChemIDplus] Affects sister chromatid exchange in in-vitro studies[HSDB] Causes general anesthesia and somnolence in parenteral lethal-dose studies of mice[RTECS] May cause irritation[Alfa Aesar MSDS] |
| 반응성 그룹 | Amides and Imides |
| Reactivity Profile | N-BUTYLUREA is an amide. Amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx). This compound decomposes on heating. (NTP, 1992) |
| Air and Water Reactions | Water soluble. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| 소화 | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 응급 처치 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
용도
용도
n-Butylurea is used as a fertilizer for rice. It is used in the preparation of drugs which are recommended for diabetes.
일반 설명
Odorless white solid.