Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Glycoluril
Acetylene carbamide · TETRAHYDROIMIDAZO[4,5-D]IMIDAZOLE-2,5(1H,3H)-DIONE · 5(1H · NSC 2765 · Glycouril · Glycolueil · Glycoluril · Gansu urea
식별자 및 물리적 특성
| CAS No. | 496-46-8 |
|---|---|
| 분자식 | C4H6N4O2 |
| 평균 분자량 | 142.12 g/mol |
| 단동위원소 질량 | 142.04907545 g/mol |
| SMILES | O=C1NC2NC(=O)NC2N1 |
| InChIKey | VPVSTMAPERLKKM-UHFFFAOYSA-N |
| PubChem CID | 62347 |
| ChEMBL | CHEMBL3182837 |
| ChEBI | CHEBI:42946 |
| EC No. | 207-821-5 |
| DTXSID | DTXSID6031380 |
화학 및 물리적 성질
| XLogP | -1.6 |
|---|---|
| 극성 표면적 | 82.3 |
| 수소 결합 공여자 수 | 4 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 165 |
| Physical Description | Other SolidLiquid[Merck Index] Beige powder[Sigma-Aldrich MSDS] |
| 녹는점 | >300 °C (lit.) |
| 끓는 점 | 259.66°C (rough estimate) |
| 밀도 | 1.4926 (rough estimate) |
| 증기압 | 0Pa at 25℃ |
| 굴절률 | 1.8500 (estimate) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 15g/L |
| 물리적 상태 | powder to crystal |
| pKa(산도 계수) | 12.91±0.20(Predicted) |
| 색상 | 흰색에서 거의 흰색 |
| 용해도 | 1.8g/L at 20℃ |
| Merck | 14,93 |
| BRN | 128826 |
| InChI | 1S/C4H6N4O2/c9-3-5-1-2(7-3)8-4(10)6-1/h1-2H,(H2,5,7,9)(H2,6,8,10) |
| InChIKey | VPVSTMAPERLKKM-UHFFFAOYSA-N |
| SMILES | O=C1NC2NC(=O)NC2N1 |
| LogP(분배 계수) | -3.28 |
| NIST | Glycoluril(496-46-8) |
| EPA | Glycoluril (496-46-8) |
화학적 성질
WHITE TO VERY SLIGHTLY YELLOW CRYSTALLINE POWDER
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 14.9% (7 of 47) of reports.WarningH302 (85.1%): 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 47 reports by companies from 2 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 7 of 47 reports by companies.There is 1 notification provided by 40 of 47 reports by companies with hazard statement code(s).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. |
|---|---|
| 규제 정보 | Chemical: Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 08-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24399Status: Active Update: 11-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/18710Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| 기타 안전 정보 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| 유해성 요약 | May cause irritationHarmful by ingestion[Sigma-Aldrich MSDS] See Urea. |
| Hazard Classes and Categories | Acute Tox. 4 (85.1%) |
| Protective Action Criteria (PAC) | 30 [mg/m3]330 [mg/m3]2000 [mg/m3] |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29332990 |
| 위험 문구(R) | 22 |
| 위험 표시 | Xn |
| 안전 문구(S) | 24/25 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
For derivatives glycoluril, glycoluril resins