Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
메틸벤조티아졸
2-메틸벤조싸이아졸 · 메틸벤조티아졸 · 2-메틸벤조티아졸 · 2-methylbenzo[d]thiazole · METHYLBENZOTHIAZOLE · 2-Methyl-1,3-benzothiazole · usafek-1853 · USAF ek-1853
식별자 및 물리적 특성
| CAS No. | 120-75-2 |
|---|---|
| 분자식 | C8H7NS |
| 평균 분자량 | 149.21 g/mol |
| 단동위원소 질량 | 149.0299204 g/mol |
| SMILES | Cc1nc2ccccc2s1 |
| InChIKey | DXYYSGDWQCSKKO-UHFFFAOYSA-N |
| PubChem CID | 8446 |
| ChEMBL | CHEMBL2393325 |
| EC No. | 204-423-3 |
| DTXSID | DTXSID8049208 |
| 현지명 | 메틸벤조티아졸 |
화학 및 물리적 성질
| XLogP | 3 |
|---|---|
| 극성 표면적 | 41.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 126 |
| 끓는 점 | 238.00 °C. @ 760.00 mm Hg238 °C (lit.) |
| 녹는점 | 14 °C11-14 °C (lit.) |
| Physical Description | Liquid |
| Kovats Retention Index | 12881273 |
| 밀도 | 1.173 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.617(lit.) |
| 인화점 | 216 °F |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 용해도 | DMSO(적게), 메탄올(약간)에 용해됨 |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 1.65±0.10(Predicted) |
| 색상 | 약간 노란색 |
| 용해도 | 물과 섞이거나 혼합하기 어렵지 않습니다. |
| BRN | 112427 |
| 화장품 원료 기능 | 용제네일 스컬핑 |
| InChI | 1S/C8H7NS/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3 |
| InChIKey | DXYYSGDWQCSKKO-UHFFFAOYSA-N |
| SMILES | Cc1nc2ccccc2s1 |
| LogP(분배 계수) | 2.224 (est) |
| NIST | Benzothiazole, 2-methyl-(120-75-2) |
| EPA | 2-Methybenzothiazole (120-75-2) |
화학적 성질
clear colorless to light amber liquid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 95% (38 of 40) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 38 of 40 companies (only 5% companies provided GHS information). For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 38 of 40 reports by companies.There are 2 notifications provided by 2 of 40 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| 규제 정보 | Chemical: Benzothiazole, 2-methyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Benzothiazole, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | DL5600000 |
| 관세 코드 | 29342080 |
| 위험 문구(R) | 36/37/38-20/21/22 |
| 위험 표시 | Xn |
| 안전 문구(S) | 23-24/25 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
2-Methylbenzothiazole is a useful reagent for efficient development of new fluorescent probes for RNA G quadruplex imaging.
일반 설명
2-Methylbenzothiazole can be synthesized by the Cu-catalyzed, base-free C-S coupling using conventional and microwave heating methods.