Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
인돌린
인도린 · 인돌린 · 2,3-DIHYDROINDOLE · Dihydroindole · 2,3-DIHYDRO-1H-INDOLE · 1H-Indole, 2,3-dihydro- · IDN · NDOLINE
식별자 및 물리적 특성
| CAS No. | 496-15-1 |
|---|---|
| 분자식 | C8H9N |
| 평균 분자량 | 119.16 g/mol |
| 단동위원소 질량 | 119.07349929 g/mol |
| SMILES | c1ccc2c(c1)CCN2 |
| InChIKey | LPAGFVYQRIESJQ-UHFFFAOYSA-N |
| PubChem CID | 10328 |
| ChEMBL | CHEMBL388803 |
| ChEBI | CHEBI:43295 |
| EC No. | 207-816-8 |
| DTXSID | DTXSID9052133 |
| 현지명 | 인돌린 |
화학 및 물리적 성질
| XLogP | 1.9 |
|---|---|
| 극성 표면적 | 12 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 101 |
| 물질 분류 | Nitrogen Compounds -> IndolesDye |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| Physical Description | Brown liquid[Alfa Aesar MSDS] |
| Collision Cross Section | 120.8 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID9052133] |
| 녹는점 | -21 °C |
| 끓는 점 | 220-221 °C (lit.) |
| 밀도 | 1.063 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.592(lit.) |
| 인화점 | 199 °F |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 용해도 | 5g/L |
| pKa(산도 계수) | 5.20±0.20(Predicted) |
| 물리적 상태 | 액체 (투명) |
| 색상 | 클리어 다크 브라운 |
| 냄새 | a mild, delicate, but extremely tenacious floral odor |
| 용해도 | 5g/L(20℃) |
| BRN | 111915 |
| InChI | 1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H2 |
| InChIKey | LPAGFVYQRIESJQ-UHFFFAOYSA-N |
| SMILES | C1Cc2ccccc2N1 |
| NIST | 1H-Indole, 2,3-dihydro-(496-15-1) |
| EPA | 1H-Indole, 2,3-dihydro- (496-15-1) |
화학적 성질
2,3-Dihydroindole [496-15-1], indoline C8H9N, Mr 119.16, bp 229 – 230 ℃(101.3 kPa), is a colorless liquid, which is volatile in steam and soluble in diethyl ether, acetone, and benzene, but only slightly soluble in water. Indoline is obtained by hydrogenation of indole or by catalytic cyclodehydration of 2-(2-aminophenyl)ethanol. A range of pharmaceuticals, as well as fungicides and bactericides, can be produced from indoline.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 18.2% (2 of 11) of reports.WarningH302 (54.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 11 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: 1H-Indole, 2,3-dihydro-1H-Indole, 2,3-dihydro-: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | A skin and strong eye irritantToxic by ingestion[Alfa Aesar MSDS] See Indole. |
| Hazard Classes and Categories | Acute Tox. 4 (54.5%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | NL6906300 |
| 관세 코드 | 29339990 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 23-24/25-37/39-26 |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
As an indole derivative, Indoline can be used in the preparation of various medicinal compounds such as potential α1-adrenoceptor (α1-AR) antagonists.