2-[[4-chloro-6-[[3-[[1-(2,5-dichloro-4-sulphophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-sulphophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulphobenzoic acid (CAS 93858-80-1) — formula C26H18Cl3N9O12S3, molecular weight 851.0; category organic chemicals.
| CAS Number | 93858-80-1 |
|---|---|
| Molecular Formula | C26H18Cl3N9O12S3 |
| Molecular Weight | 851.0 |
| LogP | 3.7 |
| Category | Organic Chemicals |
2-[[4-chloro-6-[[3-[[1-(2,5-dichloro-4-sulphophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-sulphophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulphobenzoic acid is a carbon-based organic compound with CAS registry number 93858-80-1 and molecular formula C26H18Cl3N9O12S3 (molecular weight 851.0), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 93858-80-1
Its molecular formula C26H18Cl3N9O12S3 comprises 26 C, 18 H, 3 Cl, 9 N, 12 O, 3 S atoms.
Also known as: 2-[[4-chloro-6-[[3-[[1-(2,5-dichloro-4-sulphophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-sulphophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulphobenzoic acid · 2-[[4-氯-6-[[3-[[1-(2,5-二氯-4-磺基苯基)-4,5-二氢-3-甲基-5-氧代-1H-吡唑-4-基]偶氮]-4-磺基苯基]氨基]-1,3,5-三嗪-2-基]氨基]-5-磺基苯甲酸
Category: organic chemicals
The CAS registry number of 2-[[4-chloro-6-[[3-[[1-(2,5-dichloro-4-sulphophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-sulphophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulphobenzoic acid is 93858-80-1.
Molecular formula C26H18Cl3N9O12S3, molecular weight 851.0.
It is also registered under: 2-[[4-chloro-6-[[3-[[1-(2,5-dichloro-4-sulphophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-sulphophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulphobenzoic acid, 2-[[4-氯-6-[[3-[[1-(2,5-二氯-4-磺基苯基)-4,5-二氢-3-甲基-5-氧代-1H-吡唑-4-基]偶氮]-4-磺基苯基]氨基]-1,3,5-三嗪-2-基]氨基]-5-磺基苯甲酸.
Category: Organic Chemicals.
Independent reference data for 2-[[4-chloro-6-[[3-[[1-(2,5-dichloro-4-sulphophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-sulphophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulphobenzoic acid (CAS 93858-80-1), compiled from public chemistry databases.
| CAS 号 | 93858-80-1 |
|---|---|
| PubChem CID | 11971062 |
| 分子式 | C26H18Cl3N9O12S3 |
| IUPAC 名称 | 2-[[4-chloro-6-[3-[[1-(2,5-dichloro-4-sulfophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-4-sulfoanilino]-1,3,5-triazin-2-yl]amino]-5-sulfobenzoic acid |
| UNII(FDA) | DB057796UG |
| Molecular Weight | 851.0 |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 11 |
| Exact Mass | 848.930264 |
| Monoisotopic Mass | 848.930264 |
| Topological Polar Surface Area | 346 |
| Heavy Atom Count | 53 |
EINECS 299-314-0; 93858-80-1; UNII-DB057796UG; DB057796UG; NWKBXGLAOFKAAB-UHFFFAOYSA-N; DTXSID601099056; NS00062361
2-[[4-氯-6-[[3-[[1-(2,5-二氯-4-磺基苯基)-4,5-二氢-3-甲基-5-氧代-1H-吡唑-4-基]偶氮]-4-磺基苯基]氨基]-1,3,5-三嗪-2-基]氨基]-5-磺基苯甲酸 · CAS 93858-80-1 · C26H18Cl3N9O12S3. UNII DB057796UG.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-[[4-氯-6-[[3-[[1-(2,5-二氯-4-磺基苯基)-4,5-二氢-3-甲基-5-氧代-1H-吡唑-4-基]偶氮]-4-磺基苯基]氨基]-1,3,5-三嗪-2-基]氨基]-5-磺基苯甲酸