Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1,1'-Oxybis(4-isocyanatobenzene)
OXYBIS(4-PHENYL ISOCYANATE) · 4,4'-Oxybis(isocyanatobenzene) · 4,4'-OXYBIS(PHENYL ISOCYANATE) · 1,1’-oxybis[4-isocyanato-benzen · 4,4'-Bis(isocyanatophenyl)oxide · Oxybis(4-phenyl isocyanate),99% · 4,4'-diisocyanatodiphenyl ether · Oxybis(1,4-phenylene)diisocyanate
식별자 및 물리적 특성
| CAS No. | 4128-73-8 |
|---|---|
| 분자식 | C14H8N2O3 |
| 평균 분자량 | 252.22 g/mol |
| 단동위원소 질량 | 252.05349212 g/mol |
| SMILES | O=C=Nc1ccc(Oc2ccc(N=C=O)cc2)cc1 |
| InChIKey | KDLIYVDINLSKGR-UHFFFAOYSA-N |
| PubChem CID | 61332 |
| EC No. | 626-593-1 |
| DTXSID | DTXSID6044937 |
화학 및 물리적 성질
| XLogP | 5.1 |
|---|---|
| 극성 표면적 | 68.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 19 |
| 형식 전하 | 0 |
| 복잡도 | 334 |
| 녹는점 | 64-68 °C(lit.) |
| 끓는 점 | 196 °C5 mm Hg(lit.) |
| 밀도 | 1.2700 (rough estimate) |
| 굴절률 | 1.5910 (estimate) |
| 용해도 | Acetonitrile (Soluble) |
| 물리적 상태 | 고체 |
| 색상 | 흰색에서 황백색까지 |
| 안정성 | 수분에 민감한 |
| EPA | 4,4'-Diisocyanatodiphenyl ether (4128-73-8) |
화학적 성질
WHITE CRYSTALLINE SOLID
안전 및 규제
| GHS 분류 | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 운송 라벨(DOT) | Poison |
| 화재 위험 | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: |
| 건강 유해성 | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: |
| 반응성 그룹 | Ethers |
| Reactivity Profile | Isocyanates and thioisocyanates are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. Polyurethanes are formed by the condensation reaction of diisocyanates with, for example, ethyl glycol. |
| Air and Water Reactions | No rapid reaction with air. No rapid reaction with water. |
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| 소화 | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: |
| 응급 처치 | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: |
| 비화재 누출 대응 | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: |