Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Pamoic Acid
EMBONIC ACID · Pamoic · PaMoic aci · Pamic acid · PAMOIC ACID · PalMer acid · Pamuric acid · PamoicAcid98%
식별자 및 물리적 특성
| CAS No. | 130-85-8 |
|---|---|
| 분자식 | C23H16O6 |
| 평균 분자량 | 388.4 g/mol |
| 단동위원소 질량 | 388.09468823 g/mol |
| SMILES | O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O |
| InChIKey | WLJNZVDCPSBLRP-UHFFFAOYSA-N |
| PubChem CID | 8546 |
| ChEMBL | CHEMBL177880 |
| ChEBI | CHEBI:50186 |
| EC No. | 204-998-0 |
| DTXSID | DTXSID9048984 |
화학 및 물리적 성질
| XLogP | 5.8 |
|---|---|
| 극성 표면적 | 115 |
| 수소 결합 공여자 수 | 4 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 29 |
| 형식 전하 | 0 |
| 복잡도 | 568 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 녹는점 | ≥300 °C (dec.) |
| 끓는 점 | 434.1°C (rough estimate) |
| 밀도 | 1.2472 (rough estimate) |
| 굴절률 | 1.4593 (estimate) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 니트로벤젠, 피리딘에 용해됨 |
| 물리적 상태 | 결정성 분말 |
| pKa(산도 계수) | 2.67±0.30(Predicted) |
| 색상 | 노란색에서 노란색-녹색 |
| 용해도 | 실질적으로 불용성 |
| Merck | 14,7005 |
| BRN | 901319 |
| InChI | 1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29) |
| InChIKey | WLJNZVDCPSBLRP-UHFFFAOYSA-N |
| SMILES | OC(=O)c1cc2ccccc2c(Cc3c(O)c(cc4ccccc34)C(O)=O)c1O |
| EPA | 2-Naphthalenecarboxylic acid, 4,4'-methylenebis[3-hydroxy- (130-85-8) |
화학적 성질
Pamoic acid is yellow to yellow-green crystalline powder
안전 및 규제
| GHS 분류 | WarningH302 (15.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, 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)Aggregated GHS information provided per 72 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Status: Active Update: 09-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/236712-Naphthalenecarboxylic acid, 4,4'-methylenebis[3-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - 2-Naphthalenecarboxylic acid, 4,4'-methylenebis[3-hydroxy-: Environment tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (15.3%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | QL2180000 |
| 독성 | eye-rbt 100 mg MOD FCTOD7 20,573,82 |
| 관세 코드 | 29182990 |
| 위험 문구(R) | 36/37/38-48-41-37/38-20/21/22 |
| 위험 표시 | Xi,Xn |
| 안전 문구(S) | 26-36-45-36/37/39-22 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Pamoic acid is used in preparation of repository derivatives of medicinal agents, used in pharmacology to increase the solubility of a drug in water.
일반 설명
Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards.