Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-[[4-[에틸(2-하이드록시에틸)아미노]페닐]아조]-6-메톡시-3-메틸벤조티아졸륨
2-[[4-[에틸(2-하이드록시에틸)아미노]페닐]아조]-6-메톡시-3-메틸벤조티아졸륨 · 2-[[4-[에틸(2-하이드록시에틸)아미노]페닐]아조]-6-메톡시-3-메틸벤조티아졸륨및그염류 · Panacryl · Blue X-GRL · Basic Blue 14 · MaxilonBlueGRL · Sevron Blue GR · C.I.Basicblue41
![2-[[4-[에틸(2-하이드록시에틸)아미노]페닐]아조]-6-메톡시-3-메틸벤조티아졸륨 분자 구조식](/img/chemical/83008.png)
식별자 및 물리적 특성
| CAS No. | 12270-13-2 |
|---|---|
| 분자식 | C19H23N4O2S.CH3O4S |
| 평균 분자량 | 482.6 g/mol |
| 단동위원소 질량 | 482.12937655 g/mol |
| SMILES | CCN(CCO)c1ccc(N=Nc2sc3cc(OC)ccc3[n+]2C)cc1.COS(=O)(=O)[O-] |
| InChIKey | MHOFGBJTSNWTDT-UHFFFAOYSA-M |
| PubChem CID | 83008 |
| ChEMBL | CHEMBL259143 |
| EC No. | 235-546-0 |
| DTXSID | DTXSID3051624 |
| 현지명 | 2-[[4-[에틸(2-하이드록시에틸)아미노]페닐]아조]-6-메톡시-3-메틸벤조티아졸륨 |
화학 및 물리적 성질
| 극성 표면적 | 164 |
|---|---|
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 10 |
| 회전 가능 결합 수 | 7 |
| 무거운 원자 수 | 32 |
| 형식 전하 | 0 |
| 복잡도 | 550 |
| 화장품 | Hair dyeing |
| 밀도 | 1.35[at 20℃] |
| 증기압 | 0Pa at 20℃ |
| 용해도 | 46g/L at 20℃ |
| 화장품 원료 기능 | 머리 염색 |
| InChIKey | MHOFGBJTSNWTDT-UHFFFAOYSA-M |
| SMILES | S([O-])(=O)(=O)OC.C[N+]1=C(SC2C=C(OC)C=CC1=2)/N=N/C1C=CC(N(CC)CCO)=CC=1 |
| LogP(분배 계수) | -1.6 at 20℃ |
| EPA | C.I. Basic Blue 41 (12270-13-2) |
화학적 성질
Deep blue powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 1.9% (4 of 208) of reports.DangerH302 (65.4%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 208 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Benzothiazolium, 2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methyl-, methyl sulfate (salt)REACH registered substance: 2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium methyl sulphate (EC: 235-546-0)Benzothiazolium, 2-4-ethyl(2-hydroxyethyl)aminophenylazo-6-methoxy-3-methyl-, methyl sulfate (salt): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Acute Tox. 4 (65.4%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-37/39 |
| 기존화학 물질 | KE-06947 |
제조 및 합성 방법
제조 방법
N1,N3-dip-tolylbenzene-1,3-diamine and N-phenyl-2-naphthylamine reaction, its product and the N1,N1-diethylbenzene-1,4-diamine condensation.