9-안트라센메탄올
9-안트라센메탄올 · 9-안트라센메탄올(9-ANTHRACENEMETHANOL) · Anthracen-9-ylmethanol · 9-AM · NSC 241166 · AKOS B023870 · 9-Anthrylcarbinol · 9-Anthrylmethanol
식별자 및 물리적 특성
| CAS No. | 1468-95-7 |
|---|---|
| 분자식 | C15H12O |
| 평균 분자량 | 208.25 g/mol |
| 단동위원소 질량 | 208.088815 g/mol |
| SMILES | OCc1c2ccccc2cc2ccccc12 |
| InChIKey | JCJNNHDZTLRSGN-UHFFFAOYSA-N |
| PubChem CID | 73848 |
| ChEMBL | CHEMBL3188668 |
| EC No. | 215-998-5 |
| DTXSID | DTXSID1049221 |
| 현지명 | 9-안트라센메탄올 |
화학 및 물리적 성질
| XLogP | 3.8 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 16 |
| 형식 전하 | 0 |
| 복잡도 | 216 |
| Polymers | Other Classes -> Polycyclic Aromatic Hydrocarbons |
| LogP(분배 계수) | 3.04 |
| 증기압 | 0.00000005 [mmHg] |
| Physical Description | Yellow powder[Alfa Aesar MSDS] |
| 녹는점 | 162-164 °C(lit.) |
| 끓는 점 | 307.46°C (rough estimate) |
| 밀도 | 1.0459 (rough estimate) |
| 굴절률 | 1.5361 (estimate) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 뜨거운 메탄올에 용해되며 매우 희미한 탁도를 나타냅니다. |
| pKa(산도 계수) | 14.36±0.10(Predicted) |
| 물리적 상태 | 결정성 분말 |
| 색상 | 노란색 |
| BRN | 1873402 |
| 안정성 | 안정적인. 산화제와 호환되지 않습니다. |
| InChI | 1S/C15H12O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9,16H,10H2 |
| InChIKey | JCJNNHDZTLRSGN-UHFFFAOYSA-N |
| SMILES | OCc1c2ccccc2cc3ccccc13 |
| NIST | 9-Anthracenemethanol(1468-95-7) |
| EPA | 9-Anthracenemethanol (1468-95-7) |
화학적 성질
It is a colorless or light yellow solid that is soluble in ordinary organic solvents.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 40% (2 of 5) of reports.WarningH302+H312+H332 (20%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, 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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Not Classified |
|---|---|
| 규제 정보 | Status: Active Update: 21-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22743 |
| 유해성 요약 | May cause irritation[Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS. |
| Hazard Classes and Categories | Skin Irrit. 2 (40%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | CB0577500 |
| 독성 | mic-bac-sat 390 mmol/L CRNGDP 15,2605,94 |
| 관세 코드 | 29062900 |
| 위험 문구(R) | 20/21/22-36/37/38 |
| 안전 문구(S) | 24/25 |
| 기존화학 물질 | 2011-3-4986 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
9-Anthracenemethanol can be used:As a starting material to prepare 9-anthracenylmethyl-1-piperazinecarboxylate, which acts as a reagent in the determination of isocyanates using HPLC.In the Diels-Alder reaction with dimethylacetylene-dicarboxylate to yield lactone derivatives.As an initiator in the ring-opening polymerization of δ-valerolactone to yield poly(δ-valerolactone).As a starting material in the synthesis of polymer-supported anthracene, which acts as a dienophile scavenger in cycloaddition reactions.
일반 설명
9-Anthracenemethanol participates in ring-opening polymerization of L-lactide catalyzed by alumoxane. It undergoes proton exchange reaction with potassium tert-butoxide to yield potassium 9-anthracenemethoxide.
제조 및 합성 방법
제조 방법
9-Anthracenemethanol is synthesized by hydrogenation of 9-anthracenecarboxaldehyde. It is a versatile precursor to supramolecular assemblies.