4-[[5-[[4-(4-butylphenoxy)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid (CAS 97417-01-1) — formula C29H25ClN8O10S2, molecular weight 745.1; category organic chemicals.
| CAS Number | 97417-01-1 |
|---|---|
| Molecular Formula | C29H25ClN8O10S2 |
| Molecular Weight | 745.1 |
| LogP | 5.1 |
| Category | Organic Chemicals |
4-[[5-[[4-(4-butylphenoxy)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid is a carbon-based organic compound with CAS registry number 97417-01-1 and molecular formula C29H25ClN8O10S2 (molecular weight 745.1), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 97417-01-1
Its molecular formula C29H25ClN8O10S2 comprises 29 C, 25 H, 1 Cl, 8 N, 10 O, 2 S atoms.
Also known as: 4-[[5-[[4-(4-butylphenoxy)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid · 4-[[5-[[4-(4-丁基苯氧基)-6-氯-1,3,5-三嗪-2-基]氨基]-2-磺基苯基]偶氮]-4,5-二氢-5-氧代-1-(4-磺基苯基)-1H-吡唑-3-羧酸
Category: organic chemicals
The CAS registry number of 4-[[5-[[4-(4-butylphenoxy)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid is 97417-01-1.
Molecular formula C29H25ClN8O10S2, molecular weight 745.1.
It is also registered under: 4-[[5-[[4-(4-butylphenoxy)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, 4-[[5-[[4-(4-丁基苯氧基)-6-氯-1,3,5-三嗪-2-基]氨基]-2-磺基苯基]偶氮]-4,5-二氢-5-氧代-1-(4-磺基苯基)-1H-吡唑-3-羧酸.
Category: Organic Chemicals.
Independent reference data for 4-[[5-[[4-(4-butylphenoxy)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid (CAS 97417-01-1), compiled from public chemistry databases.
| CAS 号 | 97417-01-1 |
|---|---|
| PubChem CID | 11971424 |
| 分子式 | C29H25ClN8O10S2 |
| IUPAC 名称 | 4-[[5-[[4-(4-butylphenoxy)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid |
| UNII（FDA） | NS00066672 |
| Molecular Weight | 745.1 |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 17 |
| Rotatable Bond Count | 13 |
| Exact Mass | 744.0823591 |
| Monoisotopic Mass | 744.0823591 |
| Topological Polar Surface Area | 280 |
| Heavy Atom Count | 50 |
97417-01-1; RefChem:287032; EINECS 306-850-1; WKJKXNDKRUONHJ-UHFFFAOYSA-N; DTXSID801100100; NS00066672
4-[[5-[[4-(4-丁基苯氧基)-6-氯-1,3,5-三嗪-2-基]氨基]-2-磺基苯基]偶氮]-4,5-二氢-5-氧代-1-(4-磺基苯基)-1H-吡唑-3-羧酸 · CAS 97417-01-1 · C29H25ClN8O10S2. UNII NS00066672.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-[[5-[[4-(4-丁基苯氧基)-6-氯-1,3,5-三嗪-2-基]氨基]-2-磺基苯基]偶氮]-4,5-二氢-5-氧代-1-(4-磺基苯基)-1H-吡唑-3-羧酸