5-히드록시-1-테트라론
5-히드록시-1-테트라론 · 5-hydroxy-3,4-dihydronaphthalen-1(2H)-one · 1-TETRALON-5-OL · 5-Hydroxy-1-tetraL · 5-HYDROY-1-TETRAIONE · 5-HYDROXY-1-TETRALONE · 5-Hydroxy-α-tetralone · 5-Hydroxy-1-tetrazole
식별자 및 물리적 특성
| CAS No. | 28315-93-7 |
|---|---|
| 분자식 | C10H10O2 |
| 평균 분자량 | 162.18 g/mol |
| 단동위원소 질량 | 162.06807956 g/mol |
| SMILES | O=C1CCCc2c(O)cccc21 |
| InChIKey | YPPZCRZRQHFRBH-UHFFFAOYSA-N |
| PubChem CID | 119921 |
| ChEMBL | CHEMBL3561186 |
| EC No. | 248-958-0 |
| DTXSID | DTXSID0057700 |
| 현지명 | 5-히드록시-1-테트라론 |
화학 및 물리적 성질
| XLogP | 2.1 |
|---|---|
| 극성 표면적 | 37.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 188 |
| 녹는점 | 206-209 °C (lit.) |
| 끓는 점 | 228.88°C (rough estimate) |
| 밀도 | 1.0281 (rough estimate) |
| 굴절률 | 1.5380 (estimate) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 알코올, 에테르, 벤젠, 아세트산에 용해됩니다. |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 9.37±0.20(Predicted) |
| 색상 | 흰색에서 황백색까지 |
| BRN | 2437410 |
| InChI | InChI=1S/C10H10O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1,3,5,11H,2,4,6H2 |
| InChIKey | YPPZCRZRQHFRBH-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C(O)=CC=C2)CCC1 |
| NIST | 5-Hydroxy-1-tetralone(28315-93-7) |
화학적 성질
light yellow to beige or pinkish crystalline
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.WarningH315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (71.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 7 reports by companies.There are 3 notifications provided by 6 of 7 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 | 1(2H)-Naphthalenone, 3,4-dihydro-5-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (85.7%)Eye Irrit. 2A (85.7%)STOT SE 3 (71.4%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29145090 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 22-24/25-37/39-26-36 |
| 위험 등급 | IRRITANT |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
5-Hydroxy-1-tetralone, is used as a metabolite of Levobunolol (L335000) and d-Bunolol (L335010). It is also used as a reagent for the determination of hexoses and oligosaccharides by a fluorescence technique. A reagent that is used for fluorescence determination of enzyme activity. Some of the other applications include as internal standard during HPLC determination of 4-hydroxymephenytoin (4-OH-M) in human urine, as fluorescent labeling reagent during micro detection of glycosphingolipid on TLC plates, in synthesis of 1,2,3,4-tetrahydro-5H-1-benzazepine-quinone derivatives, in synthesis of new chiral oxathiane.