trisodium 1-[4-[[4-[bis[2-[(2-chloroethyl)sulphonyl]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]-4,5-dihydro-5-oxo-4-[(2-sulphonatophenyl)azo]-1H-pyrazole-3-carboxylate (CAS 94021-08-6) — formula C27H25Cl3N9Na3O13S4, molecular weight 987.1; category organic chemicals.
| CAS Number | 94021-08-6 |
|---|---|
| Molecular Formula | C27H25Cl3N9Na3O13S4 |
| Molecular Weight | 987.1 |
| Applications | General Manufacturing Information: 1H-Pyrazole-3-carboxylic acid, 1-[4-[[4-[bis[2-[(2-chloroethyl)sulfonyl]ethyl]amino]-6-chloro-1, 3, 5-triazin-2-yl]amino]-2-sulfophenyl]-4, 5-dihydro-5-oxo-4-[2-(2-sulfophenyl)diazenyl]-, sodium salt (1:?): INACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: 1H-Pyrazole-3-carboxylic acid, 1-[4-[[4-[bis[2-[(2-chloroethyl)sulfonyl]ethyl]amino]-6-chloro-1, 3, 5-triazin-2-yl]amino]-2-sulfophenyl]-4, 5-dihydro-5-oxo-4-[2-(2-sulfophenyl)diazenyl]-, sodium salt (1:?): INACTIVE.
trisodium 1-[4-[[4-[bis[2-[(2-chloroethyl)sulphonyl]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]-4,5-dihydro-5-oxo-4-[(2-sulphonatophenyl)azo]-1H-pyrazole-3-carboxylate is a carbon-based organic compound with CAS registry number 94021-08-6 and molecular formula C27H25Cl3N9Na3O13S4 (molecular weight 987.1), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94021-08-6
Its molecular formula C27H25Cl3N9Na3O13S4 comprises 27 C, 25 H, 3 Cl, 9 N, 3 Na, 13 O, 4 S atoms.
Also known as: trisodium 1-[4-[[4-[bis[2-[(2-chloroethyl)sulphonyl]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]-4,5-dihydro-5-oxo-4-[(2-sulphonatophenyl)azo]-1H-pyrazole-3-carboxylate · 1-[4-[[4-[双[2-[(2-氯乙基)磺酰基]乙基]氨基]-6-氯-1,3,5-三嗪-2-基]氨基]-2-磺酸基苯基]-4,5-二氢-5-氧代-4-[(2-磺酸基苯基)偶氮]-1H-吡唑-3-羧酸三钠
Category: organic chemicals
The CAS registry number of trisodium 1-[4-[[4-[bis[2-[(2-chloroethyl)sulphonyl]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]-4,5-dihydro-5-oxo-4-[(2-sulphonatophenyl)azo]-1H-pyrazole-3-carboxylate is 94021-08-6.
Molecular formula C27H25Cl3N9Na3O13S4, molecular weight 987.1.
It is also registered under: trisodium 1-[4-[[4-[bis[2-[(2-chloroethyl)sulphonyl]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]-4,5-dihydro-5-oxo-4-[(2-sulphonatophenyl)azo]-1H-pyrazole-3-carboxylate, 1-[4-[[4-[双[2-[(2-氯乙基)磺酰基]乙基]氨基]-6-氯-1,3,5-三嗪-2-基]氨基]-2-磺酸基苯基]-4,5-二氢-5-氧代-4-[(2-磺酸基苯基)偶氮]-1H-吡唑-3-羧酸三钠.
Recorded applications: General Manufacturing Information: 1H-Pyrazole-3-carboxylic acid, 1-[4-[[4-[bis[2-[(2-chloroethyl)sulfonyl]ethyl]amino]-6-chloro-1, 3, 5-triazin-2-yl]amino]-2-sulfophenyl]-4, 5-dihydro-5-oxo-4-[2-(2-sulfophenyl)diazenyl]-, sodium salt (1:?): INACTIVE.
Category: Organic Chemicals.
Independent reference data for trisodium 1-[4-[[4-[bis[2-[(2-chloroethyl)sulphonyl]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]-4,5-dihydro-5-oxo-4-[(2-sulphonatophenyl)azo]-1H-pyrazole-3-carboxylate (CAS 94021-08-6), compiled from public chemistry databases.
| CAS 号 | 94021-08-6 |
|---|---|
| PubChem CID | 11971234 |
| 分子式 | C27H25Cl3N9Na3O13S4 |
| IUPAC 名称 | trisodium;1-[4-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]-5-oxo-4-[(2-sulfonatophenyl)diazenyl]-4H-pyrazole-3-carboxylate |
| UNII（FDA） | NS00065715 |
| Molecular Weight | 987.1 |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 21 |
| Rotatable Bond Count | 16 |
| Exact Mass | 984.921333 |
| Monoisotopic Mass | 984.921333 |
| Topological Polar Surface Area | 368 |
| Heavy Atom Count | 59 |
EINECS 301-401-6; 94021-08-6; ISAIBYTZDHYGLX-UHFFFAOYSA-K; DTXSID701361492; 114492-67-0; NS00065715
1-[4-[[4-[双[2-[(2-氯乙基)磺酰基]乙基]氨基]-6-氯-1,3,5-三嗪-2-基]氨基]-2-磺酸基苯基]-4,5-二氢-5-氧代-4-[(2-磺酸基苯基)偶氮]-1H-吡唑-3-羧酸三钠 · CAS 94021-08-6 · C27H25Cl3N9Na3O13S4. UNII NS00065715.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.