Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-Chloroanthraquinone
2-CHLOROANTHRACENE-9,10-DIONE · 2-Chloroanthra-9,10-quinone · NSC1702 · NSC 1702 · NSC-1702 · 2-chloro-9 · 2-CHLORO AQ · 'LGC' (2408)
식별자 및 물리적 특성
| CAS No. | 131-09-9 |
|---|---|
| 분자식 | C14H7ClO2 |
| 평균 분자량 | 242.65 g/mol |
| 단동위원소 질량 | 242.0134572 g/mol |
| SMILES | O=C1c2ccccc2C(=O)c2cc(Cl)ccc21 |
| InChIKey | FPKCTSIVDAWGFA-UHFFFAOYSA-N |
| PubChem CID | 8553 |
| ChEMBL | CHEMBL3186676 |
| EC No. | 205-010-0 |
| DTXSID | DTXSID7049213 |
화학 및 물리적 성질
| XLogP | 4 |
|---|---|
| 극성 표면적 | 34.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 17 |
| 형식 전하 | 0 |
| 복잡도 | 352 |
| Physical Description | Grey or green powder[Alfa Aesar MSDS] |
| Kovats Retention Index | 2116.8353355.88356356.47 |
| 녹는점 | 209-211 °C (lit.) |
| 끓는 점 | 345.65°C (rough estimate) |
| 밀도 | 1.2377 (rough estimate) |
| 굴절률 | 1.5380 (estimate) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | powder to crystal |
| 색상 | White to Light orange to Yellow |
| 용해도 | 불용성 |
| BRN | 2051842 |
| 헨리 상수 | 4.2×103 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| InChI | InChI=1S/C14H7ClO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H |
| InChIKey | FPKCTSIVDAWGFA-UHFFFAOYSA-N |
| SMILES | C1=C2C(C(=O)C3=C(C2=O)C=CC=C3)=CC=C1Cl |
| NIST | 2-Chloroanthraquinone(131-09-9) |
| EPA | 9,10-Anthracenedione, 2-chloro- (131-09-9) |
화학적 성질
Pale yellow needle crystal. Insoluble in water, soluble in hot benzene, nitrobenzene, concentrated sulfuric acid.
안전 및 규제
| GHS 분류 | DangerH302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (15.4%): Toxic in contact with skin [Danger Acute toxicity, dermal]H315 (98.1%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (82.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H331 (15.4%): Toxic if inhaled [Danger Acute toxicity, inhalation]H332 (15.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (80.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H400 (15.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 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. |
|---|---|
| 규제 정보 | Chemical: 9,10-Anthracenedione, 2-chloro-2-Chloroanthraquinone: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Not irritating to skin or eyes of rabbitsA skin sensitizer in guinea pigs[IUCLID] Causes impaired liver function tests, kidney changes, and erythrocyte count changes in 30-day intermittent oral studies of rats[RTECS] A skin and strong eye irritantHarmful by ingestion[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (25%)Skin Irrit. 2 (98.1%)Eye Irrit. 2 (82.7%)STOT SE 3 (80.8%) |
| 유해 작용 | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.Skin Sensitizer - An agent that can induce an allergic reaction in the skin. |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | CB6151000 |
| 관세 코드 | 29147090 |
| 위험 문구(R) | 36/37/38-43-36/37 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36-37/39-24 |
| 기존화학 물질 | KE-05519 |
| F 고인화성물질 | 10 |
| 위험 등급 | Skin Sens. 1 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
2-Chloroanthraquinone is an important dye intermediate that can be used to make alizarin and aminoanthraquinone. This product has been evaluated as a photo-reagent for the analysis of ginsenosides using photoreduction fluorescence (PRF) detection method.
제조 및 합성 방법
제조 방법
2-Chloroanthraquinone is prepared by condensing phthalic anhydride and chlorobenzene into p-chlorobenzoylbenzoic acid, and then cyclizing it with sulfuric acid.