3-Hydroxyacetophenone
1-(3-Hydroxyphenyl)ethan-1-one · 3-HYDROXYACETOPHENONE · Ethanone, 1-(3-hydroxyphenyl)- · 3-ACETYLPHENOL · 3-ACETOPHENOL · 3-Hydroxyacetophenon · M-HYDROXYACETOPHENONE · META-HYDROXYACETOPHENONE
식별자 및 물리적 특성
| CAS No. | 121-71-1 |
|---|---|
| 분자식 | C8H8O2 |
| 평균 분자량 | 136.15 g/mol |
| 단동위원소 질량 | 136.0524295 g/mol |
| SMILES | CC(=O)c1cccc(O)c1 |
| InChIKey | LUJMEECXHPYQOF-UHFFFAOYSA-N |
| PubChem CID | 8487 |
| ChEMBL | CHEMBL404719 |
| EC No. | 204-494-0 |
| DTXSID | DTXSID5059533 |
화학 및 물리적 성질
| XLogP | 1.4 |
|---|---|
| 극성 표면적 | 37.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 131 |
| 물질 분류 | Other Classes -> Aromatic Ketones |
| SpringerMaterials Properties | Chemical shift |
| 증기압 | 0.00748 [mmHg]0.022Pa at 25℃ |
| Physical Description | White crystalline powder[Alfa Aesar MSDS] |
| 녹는점 | 90-95 °C(lit.) |
| 끓는 점 | 296 °C(lit.) |
| 밀도 | 1.1 g/mL at 25 °C(lit.) |
| 굴절률 | 1,534 |
| 인화점 | 296°C |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 용해도 | 22g/L |
| 물리적 상태 | 결정성 분말 |
| pKa(산도 계수) | 9.19(at 25℃) |
| 색상 | 베이지 브라운 |
| 용해도 | 알코올에 용해됩니다. 물에 불용성. |
| BRN | 2040676 |
| InChI | 1S/C8H8O2/c1-6(9)7-3-2-4-8(10)5-7/h2-5,10H,1H3 |
| InChIKey | LUJMEECXHPYQOF-UHFFFAOYSA-N |
| SMILES | CC(=O)c1cccc(O)c1 |
| LogP(분배 계수) | 1.144 at 25℃ |
| NIST | Ethanone, 1-(3-hydroxyphenyl)-(121-71-1) |
| EPA | Ethanone, 1-(3-hydroxyphenyl)- (121-71-1) |
화학적 성질
beige-brown crystalline powder
안전 및 규제
| GHS 분류 | WarningH302 (27.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, 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 156 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Status: Active Update: 22-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/18625 |
| 유해성 요약 | A skin and strong eye irritant[Alfa Aesar MSDS] See Acetophenone. |
| Hazard Classes and Categories | Acute Tox. 4 (27.6%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29143990 |
| 위험 문구(R) | 22-36/37/38 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 22-24/25-37/39-26-36 |
| 위험 참고 사항 | Harmful/Irritant |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
3’-Hydroxyacetophenone is a chemical compound and it is a component of castoreum, the exudate from the castor sacs of the mature beaver. It is used in the synthesis and preparation of chalcones and flavonoids as anti-tuberculosis agents, as well as antileishmanial chaocones.
용도
3’Hydroxyacetophenone is a chemical reagent used in the synthesis and preparation of chalcones and flavonoids as anti-tuberculosis agents, as well as antileishmanial chaocones.
일반 설명
3′-Hydroxyacetophenone is an hydroxy-substituted alkyl phenyl ketone.
제조 및 합성 방법
제조 방법
Preparation by diazotization of 3-aminoacetophenone, followed by hydrolysis of the obtained diazonium salt (78–82%).