Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4,7-Dichloroquinoline
COPPER SEBACATE · Sulfate Impurity · 4,7-dichloro-quinolin · Chloroquine Related CoMpound A · tl1473 · TL 1473 · 4, 7-dichloroquine · 7-Dichloroquinoline
식별자 및 물리적 특성
| CAS No. | 86-98-6 |
|---|---|
| 분자식 | C9H5Cl2N |
| 평균 분자량 | 198.05 g/mol |
| 단동위원소 질량 | 196.9799046 g/mol |
| SMILES | Clc1ccc2c(Cl)ccnc2c1 |
| InChIKey | HXEWMTXDBOQQKO-UHFFFAOYSA-N |
| PubChem CID | 6866 |
| ChEMBL | CHEMBL319828 |
| EC No. | 201-714-7 |
| DTXSID | DTXSID0052590 |
화학 및 물리적 성질
| XLogP | 3.6 |
|---|---|
| 극성 표면적 | 12.9 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 163 |
| 증기압 | 0.00077 [mmHg]0.103Pa at 25℃ |
| Physical Description | Crystals[Alfa Aesar MSDS] |
| 녹는점 | 81-83 °C (lit.) |
| 끓는 점 | 298.4 °F (148°C) |
| 밀도 | 1.4178 (rough estimate) |
| 굴절률 | 1.6300 (estimate) |
| 인화점 | 164 °C |
| 저장 조건 | 2-30°C |
| 용해도 | 클로로포름: 가용성 50mg/mL, 투명, 무색~녹황색 |
| pKa(산도 계수) | 1.99±0.27(Predicted) |
| 물리적 상태 | 가루 |
| 색상 | 흰색에서 옅은 갈색까지 |
| pH | 3.86 (24.9°C) |
| 생물학적 소스 | synthetic |
| 용해도 | 불용성 |
| BRN | 125359 |
| 헨리 상수 | 2.6×101 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| InChI | 1S/C9H5Cl2N/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H |
| InChIKey | HXEWMTXDBOQQKO-UHFFFAOYSA-N |
| SMILES | Clc1ccc2c(Cl)ccnc2c1 |
| LogP(분배 계수) | 3.193 at 25℃ |
| NIST | Quinoline, 4,7-dichloro-(86-98-6) |
| EPA | 4,7-Dichloroquinoline (86-98-6) |
화학적 성질
white to light yellow crystal powder
안전 및 규제
| GHS 분류 | WarningH315 (91.2%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (20.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (83.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (66.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H411 (14.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 68 reports by companies from 12 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. |
|---|---|
| 규제 정보 | Chemical: Quinoline, 4,7-dichloro-Status: Active Update: 14-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21034Status: Active Update: 21-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22661 |
| 유해성 요약 | Subcutaneous LDLo (mouse) = 80 mg/kg[RTECS] A skin and strong eye irritant[Alfa Aesar MSDS] See Quinoline. |
| Hazard Classes and Categories | Skin Irrit. 2 (91.2%)Skin Sens. 1B (20.6%)Eye Irrit. 2 (83.8%)STOT SE 3 (66.2%)Aquatic Chronic 2 (14.7%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | VB4200000 |
| 관세 코드 | 29334910 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36-22 |
| 위험 참고 사항 | Irritant |
| 위험 등급 | Aquatic Chronic 2Eye Irrit. 2Skin Irrit. 2Skin Sens. 1 |
| 저장 분류 | 13 - Non Combustible Solids |
용도
용도
4,7-Dichloroquinoline is used in the synthesis of hybrid aminoquinoline-triazine derivatives that show anti-microbial activity. In addition, it is used in the synthesis of novel oxazolidinones as anti -microbial agents showing efficacy against common bacterial strains. Chloroquinoline impurity.
일반 설명
Chloroquine Related Compound A is an impurity of chloroquine, which is a 9-aminoquinoline drug that effectively inhibits viral infections in humans.