Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1,2,3,4-Tetrahydroquinoline
Tetrahydroquinoline · 200g · Kusol · 200G/1KG/5KG · 1-AZATETRALIN · AURORA KA-684 · AKOS BBS-00003596 · 1,2,3,4-Tetrahydroqu
식별자 및 물리적 특성
| CAS No. | 635-46-1 |
|---|---|
| 분자식 | C9H11N |
| 평균 분자량 | 133.19 g/mol |
| 단동위원소 질량 | 133.08914935 g/mol |
| SMILES | c1ccc2c(c1)CCCN2 |
| InChIKey | LBUJPTNKIBCYBY-UHFFFAOYSA-N |
| PubChem CID | 69460 |
| ChEMBL | CHEMBL303611 |
| ChEBI | CHEBI:213323 |
| EC No. | 211-237-6 |
| DTXSID | DTXSID8060903 |
화학 및 물리적 성질
| XLogP | 2.3 |
|---|---|
| 극성 표면적 | 12 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 111 |
| 물질 분류 | Nitrogen Compounds -> Quinolines |
| SpringerMaterials Properties | Chemical shift |
| 증기압 | 0.04 [mmHg] |
| Physical Description | Yellow liquid[MSDSonline] |
| 녹는점 | 9-14 °C (lit.) |
| 끓는 점 | 113-117 °C/10 mmHg (lit.) 249 °C (lit.) |
| 밀도 | 1.061 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.593(lit.) |
| 인화점 | 213 °F |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 5.09±0.20(Predicted) |
| 색상 | 맑은 연한 노란색에서 노란색까지 |
| pH | 10-11 (111g/l, H2O, 20℃)(as an emulsion) |
| 냄새 | 디프로필렌 글리콜 중 1.00%. 꿀 사향고양이 동물 페놀릭 |
| 향취 유형 | 동물 |
| 생물학적 소스 | synthetic |
| 용해도 | <1g/L(20℃) |
| BRN | 116149 |
| InChI | 1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6,10H,3,5,7H2 |
| InChIKey | LBUJPTNKIBCYBY-UHFFFAOYSA-N |
| SMILES | C1CNc2ccccc2C1 |
| LogP(분배 계수) | 2.290 |
| NIST | Quinoline, 1,2,3,4-tetrahydro-(635-46-1) |
| EPA | 1,2,3,4-Tetrahydroquinoline (635-46-1) |
화학적 성질
Clear pale yellow to yellow liquid. It is easily oxidized in air and may acquire a pale amber colour if exposed to air and daylight. Solidifies in the cold.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 13.4% (11 of 82) of reports.WarningH315 (76.8%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 82 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Quinoline, 1,2,3,4-tetrahydro-Status: Active Update: 19-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27183Quinoline, 1,2,3,4-tetrahydro-: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | A skin and respiratory tract irritantMay be absorbed through the skin[MSDSonline] May be toxic to the CNS, cornea, retina, and optic nerveMay be absorbed by skin contactQuinoline causes liver injury and liver cancer in animal experimentsSee Quinoline. |
| Hazard Classes and Categories | Skin Irrit. 2 (76.8%) |
| 유해 작용 | Neurotoxin - Other CNS neurotoxin |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29334990 |
| 위험 문구(R) | 36/37/38-45 |
| 위험 표시 | Xi,T |
| 안전 문구(S) | 26-36/37-36-45-53 |
| 기존화학 물질 | KE-33506 |
| 위험 등급 | Acute Tox. 3 OralAquatic Chronic 3 |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
용도
용도
1,2,3,4-Tetrahydroquinoline is a reagent used in the synthesis of N-substituted benzoyl-1,2,3,4-tetrahydroquinolyl-1-carboxamides displaying fungicidal activity.