Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Chloromethylphthalimide
AKOS BBS-00000871 · TIMTEC-BB SBB000346 · Chloromethylphthalimide · N-(CHLOROMETHYL)PHTHALIMIDE · N-Chloromethyltrimellitimide · Phthalimide, N-(chloromethyl)- · N-(Chloromethyl)phthalimide,97% · N-(Chloromethyl)phthalimide 97%
식별자 및 물리적 특성
| CAS No. | 17564-64-6 |
|---|---|
| 분자식 | C9H6ClNO2 |
| 평균 분자량 | 195.6 g/mol |
| 단동위원소 질량 | 195.00870611 g/mol |
| SMILES | O=C1c2ccccc2C(=O)N1CCl |
| InChIKey | JKGLRGGCGUQNEX-UHFFFAOYSA-N |
| PubChem CID | 87154 |
| ChEMBL | CHEMBL369138 |
| EC No. | 241-541-4 |
| DTXSID | DTXSID3027790 |
화학 및 물리적 성질
| XLogP | 2.2 |
|---|---|
| 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 | 230 |
| 물질 분류 | Nitrogen Compounds -> Other Nitrogen Rings |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Physical Description | White powder[Alfa Aesar MSDS] |
| 녹는점 | 131-135 °C (lit.) |
| 끓는 점 | 305.2±25.0 °C(Predicted) |
| 밀도 | 1.3228 (rough estimate) |
| 굴절률 | 1.5790 (estimate) |
| 저장 조건 | 2-8°C |
| 용해도 | 클로로포름: 용해성50mg/mL |
| 물리적 상태 | powder to crystal |
| pKa(산도 계수) | -2.63±0.20(Predicted) |
| 색상 | 흰색에서 거의 흰색 |
| 용해도 | 약간 용해됨 |
| BRN | 140942 |
| InChI | InChI=1S/C9H6ClNO2/c10-5-11-8(12)6-3-1-2-4-7(6)9(11)13/h1-4H,5H2 |
| InChIKey | JKGLRGGCGUQNEX-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C=CC=C2)C(=O)N1CCl |
| NIST | N-(chloromethyl)phthalimide(17564-64-6) |
| EPA | 1H-Isoindole-1,3(2H)-dione, 2-(chloromethyl)- (17564-64-6) |
화학적 성질
white crystalline powder
안전 및 규제
| GHS 분류 | DangerH301 (88.9%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 유해성 요약 | A skin and strong eye irritant[Alfa Aesar MSDS] See Phthalimide. See 1,2,3,6-Tetrahydrophthalimide and Folpet. |
| Hazard Classes and Categories | Acute Tox. 3 (88.9%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 2811 6.1 / PGIII |
| 관세 코드 | 29251995 |
| 위험 문구(R) | 36/37/38-52/53-43-22 |
| 위험 표시 | Xi,Xn |
| 안전 문구(S) | 26-36-37/39-61-45 |
| F 고인화성물질 | 9-21 |
| 위험 등급 | Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
용도
용도
N-(Chloromethyl)phthalimide is used as an agrochemical and medicine intermediates and is used in organic synthesis. Microporous membranes prepared from chemically modified polysulfone, which is a derivative of this compound have better streaming potential.