Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Benzo(h)quinoline
BENZO[H]QUINOLINE · 4-AZAPHENANTHRENE · A-NAPHTHOQUINOLINE · ALPHA-NAPHTHOQUINOLINE · 7,8-BenzoquinoL · 7,S-Benzochinolin · 1-NAPHTHOQUINOLINE · 7,8-BENZOQUINOLINE
식별자 및 물리적 특성
| CAS No. | 230-27-3 |
|---|---|
| 분자식 | C13H9N |
| 평균 분자량 | 179.22 g/mol |
| 단동위원소 질량 | 179.07349929 g/mol |
| SMILES | c1ccc2c(c1)ccc1cccnc12 |
| InChIKey | WZJYKHNJTSNBHV-UHFFFAOYSA-N |
| PubChem CID | 9191 |
| ChEMBL | CHEMBL2227835 |
| EC No. | 205-937-0 |
| DTXSID | DTXSID1075199 |
화학 및 물리적 성질
| XLogP | 3.4 |
|---|---|
| 극성 표면적 | 12.9 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 201 |
| 물질 분류 | Nitrogen Compounds -> Quinolines |
| SpringerMaterials Properties | Angular frequency |
| LogP(분배 계수) | 3.25 |
| 증기압 | 0.000218 [mmHg] |
| Physical Description | Dark yellow crystalline solid[Sigma-Aldrich MSDS] |
| Ionization Efficiency | Positive4.12.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| 녹는점 | 48-50 °C(lit.) |
| 끓는 점 | 338 °C719 mm Hg(lit.) |
| 밀도 | 1.2340 |
| 굴절률 | 1.7270 (estimate) |
| 인화점 | >230 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | almost transparency in Methanol |
| 물리적 상태 | 결정성 분말 |
| pKa(산도 계수) | pK1: 4.15(+1) (20°C) |
| 색상 | 황백색에서 갈색까지 |
| BRN | 120249 |
| InChI | InChI=1S/C13H9N/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12/h1-9H |
| InChIKey | WZJYKHNJTSNBHV-UHFFFAOYSA-N |
| SMILES | N1C2C(=CC=C3C=CC=CC3=2)C=CC=1 |
| NIST | Benzo[h]quinoline(230-27-3) |
| EPA | Benzo[h]quinoline (230-27-3) |
안전 및 규제
| GHS 분류 | WarningH302 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| 유해성 요약 | May cause irritation[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | DK1432000 |
| 관세 코드 | 29339900 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 22-24/25-36-26 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Benzo[h]quinoline was used to study the mutagenic activities of benzo[f]quinoline, benzo[h]quinolone and a number of their derivatives in strain TA 100 of Salmonella typhimurium. It was used in determination of nitrogen-containing polynuclear aromatic hydrocarbons in the gaseous products of the thermal degradation of polymers by HPLC- fluorescence detection. It was used as starting reagent for the synthesis of osmium and ruthenium complexes containing an N-heterocyclic carbene ligand.