Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Trisodium 3-[[4-[[6-(anilino)-1-hydroxy-3-sulphonato-2-naphthyl]azo]-5-methoxy-o-tolyl]azo]naphthalene-1,5-disulphonate
C.I.27915 · Violet 35 · DirectViolet · Einecs 228-327-6 · Direct Violet 35 · C.I.DirectViolet35 · Brilliant Violet 5BFN · Brilliant Congo Blue 5R
![Trisodium 3-[[4-[[6-(anilino)-1-hydroxy-3-sulphonato-2-naphthyl]azo]-5-methoxy-o-tolyl]azo]naphthalene-1,5-disulphonate 분자 구조식](/img/chemical/80371.png)
식별자 및 물리적 특성
| CAS No. | 6227-20-9 |
|---|---|
| 분자식 | C34H24N5Na3O11S3 |
| 평균 분자량 | 843.8 g/mol |
| 단동위원소 질량 | 843.03275297 g/mol |
| SMILES | COc1cc(N=Nc2cc(S(=O)(=O)[O-])c3cccc(S(=O)(=O)[O-])c3c2)c(C)cc1N=Nc1c(S(=O)(=O)[O-])cc2cc(Nc3ccccc3)ccc2c1O.[Na+].[Na+].[Na+] |
| InChIKey | VRVDFJOCCWSFLI-UHFFFAOYSA-K |
| PubChem CID | 80371 |
| EC No. | 228-327-6 |
| DTXSID | DTXSID70881404 |
화학 및 물리적 성질
| 극성 표면적 | 288 |
|---|---|
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 16 |
| 회전 가능 결합 수 | 7 |
| 무거운 원자 수 | 56 |
| 형식 전하 | 0 |
| 복잡도 | 1,600 |
| Physical Description | Liquid |
| 밀도 | 1.56[at 20℃] |
| 증기압 | 0Pa at 25℃ |
| 용해도 | 50g/L at 20℃ |
| LogP(분배 계수) | -1 |
| EPA | C.I. Direct Violet 35, trisodium salt (6227-20-9) |
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 9.1% (12 of 132) of reports.WarningH302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P318, P321, P330, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 132 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: 1,5-Naphthalenedisulfonic acid, 3-[[4-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-5-methoxy-2-methylphenyl]azo]-, trisodium salt1,5-Naphthalenedisulfonic acid, 3-[2-[4-[2-[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-, sodium salt (1:3) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,5-Naphthalenedisulfonic acid, 3-[2-[4-[2-[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-, sodium salt (1:3) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)REACH registered substance: Trisodium 3-[[4-[[6-(anilino)-1-hydroxy-3-sulphonato-2-naphthyl]azo]-5-methoxy-o-tolyl]azo]naphthalene-1,5-disulphonate (EC: 228-327-6) |
| Hazard Classes and Categories | Acute Tox. 4 (90.9%) |
| TSCA 등재 상태 | TSCA listed |
| 기존화학 물질 | 2000-3-1428 |
제조 및 합성 방법
제조 방법
3-Aminonaphthalene-1,5-disulfonic acid diazo, and 2-Amino-4-methylanisole coupling, its product to diazo, in alkaline conditions and 4-Hydroxy-7-(phenylamino)naphthalene-2-sulfonic acid coupling.