2-[[1-(6-chloro-o-tolyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonic acid (CAS 70833-47-5) — formula C21H17ClN4O4S, molecular weight 456.9; category organic chemicals.
| CAS Number | 70833-47-5 |
|---|---|
| Molecular Formula | C21H17ClN4O4S |
| Molecular Weight | 456.9 |
| LogP | 4.3 |
| Category | Organic Chemicals |
2-[[1-(6-chloro-o-tolyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonic acid is a carbon-based organic compound with CAS registry number 70833-47-5 and molecular formula C21H17ClN4O4S (molecular weight 456.9), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 70833-47-5
Its molecular formula C21H17ClN4O4S comprises 21 C, 17 H, 1 Cl, 4 N, 4 O, 1 S atoms.
Also known as: 2-[[1-(6-chloro-o-tolyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonic acid · 2-[[1-(6-氯-邻甲苯基)-4,5-二氢-3-甲基-5-氧代-1H-吡唑-4-基]偶氮]萘-1-磺酸
Category: organic chemicals
The CAS registry number of 2-[[1-(6-chloro-o-tolyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonic acid is 70833-47-5.
Molecular formula C21H17ClN4O4S, molecular weight 456.9.
It is also registered under: 2-[[1-(6-chloro-o-tolyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonic acid, 2-[[1-(6-氯-邻甲苯基)-4,5-二氢-3-甲基-5-氧代-1H-吡唑-4-基]偶氮]萘-1-磺酸.
Category: Organic Chemicals.
Independent reference data for 2-[[1-(6-chloro-o-tolyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonic acid (CAS 70833-47-5), compiled from public chemistry databases.
| CAS 号 | 70833-47-5 |
|---|---|
| PubChem CID | 116896 |
| 分子式 | C21H17ClN4O4S |
| IUPAC 名称 | 2-[[1-(2-chloro-6-methylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid |
| UNII（FDA） | NS00091495 |
| Molecular Weight | 456.9 |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 456.0659039 |
| Monoisotopic Mass | 456.0659039 |
| Topological Polar Surface Area | 120 |
| Heavy Atom Count | 31 |
DTXSID10887743; RefChem:434831; DTXCID301027028; 70833-47-5; 1-Naphthalenesulfonic acid, 2-((1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-; 1-Naphthalenesulfonic acid, 2-[[1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-; EINECS 274-920-8; 1-(2-Chloro-6-methylphenyl)-3-methyl-4-((1-sulfo-2-naphthalenyl)azo)-2-pyrazolin-5-one; KGIUUGAGFHWHRX-UHFFFAOYSA-N; NS00091495; 2-((1-(6-Chloro-o-tolyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)naphthalene-1-sulphonic acid
2-[[1-(6-氯-邻甲苯基)-4,5-二氢-3-甲基-5-氧代-1H-吡唑-4-基]偶氮]萘-1-磺酸 · CAS 70833-47-5 · C21H17ClN4O4S. UNII NS00091495.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.