Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
9-클로로아크리딘
9-클로로아크리딘 · AURORA KA-4303 · 9-chloracridine · 9-chloroacridone · 9-CHLOROACRIDINE · Acridine, 9-chloro- · 9-Chloroacridine,95% · 9-CHLOROACRIDINE 95%
식별자 및 물리적 특성
| CAS No. | 1207-69-8 |
|---|---|
| 분자식 | C13H8ClN |
| 평균 분자량 | 213.66 g/mol |
| 단동위원소 질량 | 213.034527 g/mol |
| SMILES | Clc1c2ccccc2nc2ccccc12 |
| InChIKey | BPXINCHFOLVVSG-UHFFFAOYSA-N |
| PubChem CID | 71013 |
| ChEMBL | CHEMBL2180144 |
| EC No. | 214-895-2 |
| DTXSID | DTXSID4061622 |
| 현지명 | 9-클로로아크리딘 |
화학 및 물리적 성질
| XLogP | 4.2 |
|---|---|
| 극성 표면적 | 12.9 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 15 |
| 형식 전하 | 0 |
| 복잡도 | 209 |
| 녹는점 | 116-120 °C (lit.) |
| 끓는 점 | 346.74°C (rough estimate) |
| 밀도 | 1.1961 (rough estimate) |
| 굴절률 | 1.5868 (estimate) |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 물리적 상태 | solid |
| pKa(산도 계수) | 3.96±0.10(Predicted) |
| InChI | InChI=1S/C13H8ClN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H |
| InChIKey | BPXINCHFOLVVSG-UHFFFAOYSA-N |
| SMILES | C1C2C(=NC3C(C=2Cl)=CC=CC=3)C=CC=1 |
| NIST | Acridine, 9-chloro-(1207-69-8) |
| EPA | Acridine, 9-chloro- (1207-69-8) |
화학적 성질
Green to brown solid
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.6%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN2811 |
| 관세 코드 | 29379000 |
| 위험 문구(R) | 36/37/38-22 |
| 위험 표시 | Xi,Xn |
| 안전 문구(S) | 26-36-37/39 |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
9-Chloroacridine was employed as chromogenic reagent in the spectrophotometric method for the quantitative determination of dapsone. It was also used in the synthesis of:series of novel chalcones bearing acridine moiety attached to the amino group in their ring Anew acridine derivatives9-phenoxyacridine and 4-phenoxyfuro[2,3-b]quinoline derivatives