1-사이클로헥실-1H-피롤-2,5-디온
1-사이클로헥실-1H-피롤-2,5-디온 · 1-사이클로헥실-1H-피롤-2,5-다이온 · N-사이클로헥실말레이미드 · 1-CYCLOHEXYL-1H-PYRROLE-2,5-DIONE · AKOS MSC-0038 · ASISCHEM D13289 · Cyclohexylmaleimide · TIMTEC-BB SBB005910
식별자 및 물리적 특성
| CAS No. | 1631-25-0 |
|---|---|
| 분자식 | C10H13NO2 |
| 평균 분자량 | 179.22 g/mol |
| 단동위원소 질량 | 179.09462866 g/mol |
| SMILES | O=C1C=CC(=O)N1C1CCCCC1 |
| InChIKey | BQTPKSBXMONSJI-UHFFFAOYSA-N |
| PubChem CID | 74203 |
| ChEMBL | CHEMBL4547552 |
| EC No. | 216-630-6 |
| DTXSID | DTXSID4061834 |
| 현지명 | 1-사이클로헥실-1H-피롤-2,5-디온 |
화학 및 물리적 성질
| XLogP | 1.3 |
|---|---|
| 극성 표면적 | 37.4 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 246 |
| 녹는점 | 89-91 °C (lit.) |
| 끓는 점 | 132 °C / 17mmHg |
| 밀도 | 1.226±0.06 g/cm3(Predicted) |
| 증기압 | 80Pa at 25℃ |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 용해도 | Insoluble in water |
| 물리적 상태 | powder to lump |
| pKa(산도 계수) | -2.26±0.20(Predicted) |
| 색상 | 흰색에서 거의 흰색 |
| 용해도 | 260mg/L at 25℃ |
| InChI | InChI=1S/C10H13NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h6-8H,1-5H2 |
| InChIKey | BQTPKSBXMONSJI-UHFFFAOYSA-N |
| SMILES | N1(C2CCCCC2)C(=O)C=CC1=O |
| LogP(분배 계수) | 2.57 at 23℃ |
| EPA | 1H-Pyrrole-2,5-dione, 1-cyclohexyl- (1631-25-0) |
안전 및 규제
| GHS 분류 | DangerH301 (30.2%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 63 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Status: Active Update: 13-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/23534 |
| Hazard Classes and Categories | Acute Tox. 3 (30.2%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | 2811 |
| 관세 코드 | 29251900 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-37/39 |
| 포장분류 | II |
| 위험 등급 | 6.1Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 3Eye Irrit. 2Skin Irrit. 2Skin Sens. 1ASTOT SE 3 |
| 기존화학 물질 | KE-05-0386 |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| 함량 및 규제정보 | 물질구분: 유독물질혼합물(제품)함량정보: 1-사이클로헥실-1H-피롤-2,5-디온 및 이를 1% 이상 함유한 혼합물 |
| 유해화학물질 필터링 | 2002-1-527 |
용도
용도
N-Cyclohexylmaleimide (CHMI, NCMI) may be used for the preparation of hyperbranched copolymers of p-(chloromethyl)styrene (CMS) and NCMI, via atom transfer radical copolymerization reaction.
일반 설명
N-Cyclohexylmaleimide (CHMI, NCMI) is a cyclic imide. Diels-Alder reactions of 9-hydroxymethylanthracene with CHMI catalyzed by hydrophobic nanospace confined within the self-assembled Pd6 open cage bearing triimidazole walls have been reported. It undergoes Diels-Alder reactions with various aromatic hydrocarbons promoted by self-assembled coordination cage. This cage acts as nanometer-sized molecular flask and hence promotes this reaction. CHMI is reported to undergo radical polymerization readily under various polymerization conditions to afford poly(CHMI), having excellent thermal stability.