Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
9-Anthracenecarboxylic acid
9-ANTHRACENECARBOXYLIC ACID · 9-AC · 9-ANTHROIC ACID · ANTHRACENE-9-CARBOXYLIC ACID · Anthra · AKOS MSC-0134 · 9-anthroicaci · 9-Anthroate acid
식별자 및 물리적 특성
| CAS No. | 723-62-6 |
|---|---|
| 분자식 | C15H10O2 |
| 평균 분자량 | 222.24 g/mol |
| 단동위원소 질량 | 222.06807956 g/mol |
| SMILES | O=C(O)c1c2ccccc2cc2ccccc12 |
| InChIKey | XGWFJBFNAQHLEF-UHFFFAOYSA-N |
| PubChem CID | 2201 |
| ChEMBL | CHEMBL1513985 |
| ChEBI | CHEBI:34507 |
| EC No. | 211-964-9 |
| DTXSID | DTXSID7049427 |
화학 및 물리적 성질
| XLogP | 3.8 |
|---|---|
| 극성 표면적 | 37.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 17 |
| 형식 전하 | 0 |
| 복잡도 | 277 |
| 증기압 | 0.00000022 [mmHg] |
| Physical Description | Yellow powder[Alfa Aesar MSDS] |
| 녹는점 | 213-217 °C (lit.) |
| 끓는 점 | 323.41°C (rough estimate) |
| 밀도 | 1.1404 (rough estimate) |
| 굴절률 | 1.6600 (estimate) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | H2O: 용해성 |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | pK1: 3.65 (25°C) |
| 색상 | 노란색 |
| 용해도 | 불용성 |
| BRN | 1875336 |
| InChI | 1S/C15H10O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,16,17) |
| InChIKey | XGWFJBFNAQHLEF-UHFFFAOYSA-N |
| SMILES | OC(=O)c1c2ccccc2cc3ccccc13 |
| NIST | 9-Anthroic acid(723-62-6) |
| EPA | 9-Anthracenecarboxylic acid (723-62-6) |
화학적 성질
yellow powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 30% (3 of 10) of reports.DangerH301 (10%): Toxic if swallowed [Danger Acute toxicity, oral]H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)Aggregated GHS information provided per 10 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 3 of 10 reports by companies.There are 4 notifications provided by 7 of 10 reports by companies with hazard statement code(s).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-Anthracenecarboxylic acidStatus: Active Update: 25-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/299539-Anthracenecarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Causes muscle contraction or spasticity in intraperitoneal lethal-dose studies of mice (LD50 = 750 mg/kg)[RTECS] A skin and strong eye irritant[Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS. |
| Hazard Classes and Categories | Acute Tox. 3 (10%)Skin Irrit. 2 (60%)Eye Irrit. 2 (60%)STOT SE 3 (50%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | CB8764000 |
| 독성 | pic-esc 127 mg/well MUREAV 260,349,91 |
| 관세 코드 | 29163900 |
| 위험 문구(R) | 36/37/38-20/21/22 |
| 위험 표시 | Xi,C,Xn |
| 안전 문구(S) | 37/39-26-36-24/25 |
| 위험 참고 사항 | Corrosive |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Anthracene-9-carboxylic acid is a Cl- transport inhibitor with a moderate to strong inhibitory action on PKA activated cardiac IcI.