Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Benzoic acid, 5-[2-[4-[[[4-[2-[2,6-diamino-3-methyl-5-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]amino]carbonyl]phenyl]diazenyl]-2-hydroxy-, sodium salt (1:2)
disodium 5-[[4-[[[4-[[2,6-diamino-3-methyl-5-[(4-sulphonatophenyl)azo]phenyl]azo]phenyl]amino]carbonyl]phenyl]azo]salicylate · 5-[[4-[[[4-[[2,6-Diamino-3-methyl-5-[(4-sulfophenyl)azo]phenyl]azo]phenyl]amino]carbonyl]phenyl]azo]-2-hydroxybenzoic acid disodium salt · disodium (3E)-3-[[4-[[4-[2,6-diamino-3-methyl-5-(4-sulfonatophenyl)diazenyl-phenyl]diazenylphenyl]carbamoyl]phenyl]hydrazinylidene]-6-oxo-cyclohexa-1,4-diene-1-carboxylate
![Benzoic acid, 5-[2-[4-[[[4-[2-[2,6-diamino-3-methyl-5-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]amino]carbonyl]phenyl]diazenyl]-2-hydroxy-, sodium salt (1:2) 분자 구조식](/img/chemical/175193.png)
식별자 및 물리적 특성
| CAS No. | 72829-12-0 |
|---|---|
| 분자식 | C33H25N9Na2O7S |
| 평균 분자량 | 737.7 g/mol |
| 단동위원소 질량 | 737.13930391 g/mol |
| SMILES | Cc1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)c(N)c(N=Nc2ccc(NC(=O)c3ccc(N=Nc4ccc(O)c(C(=O)[O-])c4)cc3)cc2)c1N.[Na+].[Na+] |
| InChIKey | IDQIUSUZMLRVBZ-UHFFFAOYSA-L |
| PubChem CID | 175193 |
| EC No. | 276-904-6 |
| DTXSID | DTXSID60890121 |
화학 및 물리적 성질
| 극성 표면적 | 281 |
|---|---|
| 수소 결합 공여자 수 | 4 |
| 수소 결합 수용자 수 | 15 |
| 회전 가능 결합 수 | 8 |
| 무거운 원자 수 | 52 |
| 형식 전하 | 0 |
| 복잡도 | 1,320 |
| EPA | Benzoic acid, 5-[[4-[[[4-[[2,6-diamino-3-methyl-5-[(4-sulfophenyl)azo]phenyl]azo]phenyl]amino]carbonyl]phenyl]azo]-2-hydroxy-, disodium salt (72829-12-0) |
안전 및 규제
| TSCA 등재 상태 | TSCA listed |
|---|