1-Methoxynaphthalene
1-Methoxynaphtalene · 1-Methoxynapthalene · 1-Methoxy · 1-Methoxyphthalene · I-Methoxynaphthalin · 1-METHOXYNAPHTHALENE · 1-methoxy-naphthalen · 1-METHOXYNAPHTHYLENE
식별자 및 물리적 특성
| CAS No. | 2216-69-5 |
|---|---|
| 분자식 | C11H10O |
| 평균 분자량 | 158.2 g/mol |
| 단동위원소 질량 | 158.07316494 g/mol |
| SMILES | COc1cccc2ccccc12 |
| InChIKey | NQMUGNMMFTYOHK-UHFFFAOYSA-N |
| PubChem CID | 16668 |
| EC No. | 218-696-1 |
| DTXSID | DTXSID5062263 |
화학 및 물리적 성질
| XLogP | 3.6 |
|---|---|
| 극성 표면적 | 9.2 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 144 |
| Kovats Retention Index | 1403143421352143 |
| 녹는점 | 5 °C |
| 끓는 점 | 135-137 °C/12 mmHg (lit.) |
| 밀도 | 1.09 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.621(lit.) |
| 인화점 | >230 °F |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 용해도 | 클로로포름, 메탄올에 용해됨 |
| 물리적 상태 | 기름 |
| 색상 | 무색~황색으로 투명함 |
| 비중 | 1.1 |
| 용해도 | 섞일 수 없음 |
| BRN | 7748884 |
| InChI | 1S/C11H10O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3 |
| InChIKey | NQMUGNMMFTYOHK-UHFFFAOYSA-N |
| SMILES | COc1cccc2ccccc12 |
| LogP(분배 계수) | 3.450 |
| NIST | Naphthalene, 1-methoxy-(2216-69-5) |
| EPA | Naphthalene, 1-methoxy- (2216-69-5) |
화학적 성질
1-Methoxynaphthalene is an isomer of methoxynaphthalene. It is clear light yellow to brown liquid that aroma is not as good as 2-methoxynaphthalene. Insoluble in water, soluble in ethanol, ether, benzene and chloroform.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 80% (4 of 5) of all reports.H411 (20%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 4 of 5 reports by companies.There is 1 notification provided by 1 of 5 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| 규제 정보 | Chemical: Naphthalene, 1-methoxy-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 16-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21479Naphthalene, 1-methoxy-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Aquatic Chronic 2 (20%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | QJ9465500 |
| 운송 번호(UN) | UN 3082 9/PG III |
| 관세 코드 | 29093090 |
| 안전 문구(S) | 23-24/25 |
| 포장분류 | III |
| 위험 등급 | 9 |
| 기존화학 물질 | KE-23328 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
1-Methoxynaphthalene is used in the study of peroxygenase activity of cytochrome c peroxidase. It is used as a precursor to synthesize prenyl naphthalene-ols, which shows antioxidative activity. It is also used in organic synthesis, pesticides, perfumes for making soaps, and film developers.
일반 설명
1-Methoxynaphthalene, a methoxyphenolic compound, is a naphthalene derivative that finds application as a precursor for the preparation of pharmaceutical drugs, and also as a therapeutic agent.
제조 및 합성 방법
제조 방법
1-Methoxynaphthalene can be obtained by methylating 1-naphthol, and the methylating reagent can be selected from methyl trifluoroacetate, dimethyl carbonate and dimethyl sulfate.