Bitertanol (CAS 55179-31-2) — formula C20H23N3O2, molecular weight 337.4; category organic chemicals.
| CAS Number | 55179-31-2 |
|---|---|
| Molecular Formula | C20H23N3O2 |
| Molecular Weight | 337.4 |
| LogP | 4.1 |
| Category | Organic Chemicals |
Bitertanol is a carbon-based organic compound with CAS registry number 55179-31-2 and molecular formula C20H23N3O2 (molecular weight 337.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 55179-31-2
Its molecular formula C20H23N3O2 comprises 20 C, 23 H, 3 N, 2 O atoms.
Also known as: Bitertanol · 比特醇
Category: organic chemicals
The CAS registry number of Bitertanol is 55179-31-2.
Molecular formula C20H23N3O2, molecular weight 337.4.
It is also registered under: Bitertanol, 比特醇.
Category: Organic Chemicals.
Independent reference data for Bitertanol (CAS 55179-31-2), compiled from public chemistry databases.
| CAS Registry Number | 55179-31-2 |
|---|---|
| PubChem CID | 91656 |
| Molecular formula | C20H23N3O2 |
| IUPAC name | 3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol |
| UNII (FDA) | GR7Z3Z59G9 |
| Molecular Weight | 337.4 |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 337.17902698 |
| Monoisotopic Mass | 337.17902698 |
| Topological Polar Surface Area | 60.2 |
| Heavy Atom Count | 25 |
| Vapor Pressure | 0.0000075 [mmHg] |
|---|---|
| LogP | 4.1 |
| Ionization Efficiency | 2.83 |
| Ionization Efficiency | 2.7 |
| Ionization Efficiency | MeCN (80%) |
| Ionization Efficiency | DOI:10.1038/s41598-020-62573-z |
Bitertanol; 55179-31-2; Baycor; Biloxazol; Baycor 25 WP; 3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol; Bay KWG 0599; KWG 0599; DTXSID2037502; GR7Z3Z59G9; DTXCID0017502; 1-(4-Phenylphenoxy)-1-(1,2,4-triazole-1)-3,3-dimethylbutan-2-ol; 1H-1,2,4-Triazole-1-ethanol, beta-((1,1'-biphenyl)-4-yloxy)-alpha-(1,1-dimethylethyl)-; beta-((1,1'-Biphenyl)-4-yloxy)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol; RefChem:569582; BAY KWG-0599
| Reported hazard statements | H302 (84.3%), H330 (86.3%), H401, H411, H361 |
|---|
H302 (84.3%): Harmful if swallowed [Warning Acute toxicity, oral]
H330 (86.3%): Fatal if inhaled [Danger Acute toxicity, inhalation]
Bitertanol · CAS 55179-31-2 · C20H23N3O2. UNII GR7Z3Z59G9. Vapor Pressure: 0.0000075 [mmHg]; LogP: 4.1; Ionization Efficiency: 2.83.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 比特醇