trisodium 4,5-dihydro-4-[[4-(6-methyl-7-sulphonatobenzothiazol-2-yl)phenyl]azo]-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate (CAS 6442-00-8) — formula C24H14N5Na3O9S3, molecular weight 681.6; category organic chemicals.
Documented applications: General Manufacturing Information: 1H-Pyrazole-3-carboxylic acid, 4, 5-dihydro-4-[2-[4-(6-methyl-7-sulfo-2-benzothiazolyl)phenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:3): INACTIVE.
trisodium 4,5-dihydro-4-[[4-(6-methyl-7-sulphonatobenzothiazol-2-yl)phenyl]azo]-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate is a carbon-based organic compound with CAS registry number 6442-00-8 and molecular formula C24H14N5Na3O9S3 (molecular weight 681.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6442-00-8
Its molecular formula C24H14N5Na3O9S3 comprises 24 C, 14 H, 5 N, 3 Na, 9 O, 3 S atoms.
Also known as: trisodium 4,5-dihydro-4-[[4-(6-methyl-7-sulphonatobenzothiazol-2-yl)phenyl]azo]-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate · 4,5-二氢-4-[[4-(6-甲基-7-磺基苯并噻唑-2-基)苯基]偶氮]-5-氧代-1-(4-磺基苯基)-1H-吡唑-3-甲酸三钠
Category: organic chemicals
The CAS registry number of trisodium 4,5-dihydro-4-[[4-(6-methyl-7-sulphonatobenzothiazol-2-yl)phenyl]azo]-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate is 6442-00-8.
Molecular formula C24H14N5Na3O9S3, molecular weight 681.6.
It is also registered under: trisodium 4,5-dihydro-4-[[4-(6-methyl-7-sulphonatobenzothiazol-2-yl)phenyl]azo]-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate, 4,5-二氢-4-[[4-(6-甲基-7-磺基苯并噻唑-2-基)苯基]偶氮]-5-氧代-1-(4-磺基苯基)-1H-吡唑-3-甲酸三钠.
Recorded applications: General Manufacturing Information: 1H-Pyrazole-3-carboxylic acid, 4, 5-dihydro-4-[2-[4-(6-methyl-7-sulfo-2-benzothiazolyl)phenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:3): INACTIVE.
Category: Organic Chemicals.
Public-database records for trisodium 4,5-dihydro-4-[[4-(6-methyl-7-sulphonatobenzothiazol-2-yl)phenyl]azo]-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate (CAS 6442-00-8), reproduced here for independent cross-checking.
| CAS 号 | 6442-00-8 |
|---|---|
| PubChem CID | 110853 |
| 分子式 | C24H14N5Na3O9S3 |
| IUPAC 名称 | trisodium;4-[[4-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)phenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate |
| UNII（FDA） | NS00046759 |
6442-00-8; DTXSID50889549; RefChem:386744; DTXCID701030899; 229-235-9; EINECS 229-235-9; NYNDYBLXCWXHKE-UHFFFAOYSA-K; NS00046759
| 分子量 | 681.6 |
|---|---|
| 氢键供体数 | 0 |
| 氢键受体数 | 14 |
| 可旋转键数 | 4 |
| 精确质量 | 680.96467341 |
| 单同位素质量 | 680.96467341 |
| 拓扑极性表面积 | 270 |
| 重原子数 | 44 |
| 形式电荷 | 0 |
| 复杂度 | 1260 |
4,5-二氢-4-[[4-(6-甲基-7-磺基苯并噻唑-2-基)苯基]偶氮]-5-氧代-1-(4-磺基苯基)-1H-吡唑-3-甲酸三钠 · CAS 6442-00-8 · C24H14N5Na3O9S3. UNII NS00046759.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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