METCONAZOLE (CAS 125116-23-6) — formula C17H22ClN3O, molecular weight 319.8; category organic chemicals.
| CAS Number | 125116-23-6 |
|---|---|
| Molecular Formula | C17H22ClN3O |
| Molecular Weight | 319.8 |
| LogP | 3.93 |
| Category | Organic Chemicals |
METCONAZOLE is a carbon-based organic compound with CAS registry number 125116-23-6 and molecular formula C17H22ClN3O (molecular weight 319.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 125116-23-6
Its molecular formula C17H22ClN3O comprises 17 C, 22 H, 1 Cl, 3 N, 1 O atoms.
Also known as: METCONAZOLE · 乙菌唑
Category: organic chemicals
The CAS registry number of METCONAZOLE is 125116-23-6.
Molecular formula C17H22ClN3O, molecular weight 319.8.
It is also registered under: METCONAZOLE, 乙菌唑.
Category: Organic Chemicals.
Independent reference data for METCONAZOLE (CAS 125116-23-6), compiled from public chemistry databases.
| CAS Registry Number | 125116-23-6 |
|---|---|
| PubChem CID | 86210 |
| Molecular formula | C17H22ClN3O |
| IUPAC name | 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol |
| UNII (FDA) | A2F791945Q |
| Molecular Weight | 319.8 |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 319.1451400 |
| Monoisotopic Mass | 319.1451400 |
| Topological Polar Surface Area | 50.9 |
| Heavy Atom Count | 22 |
| LogP | 3.93 |
|---|---|
| Collision Cross Section | 185.36 Ų [M+Cl]- |
| Collision Cross Section | 168.28 Ų [M+H]+ |
| Collision Cross Section | 187.77 Ų [M+HCOO]- |
Metconazole; 125116-23-6; DTXSID4034497; 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol; DTXCID2014497; CHEBI:81773; A2F791945Q; Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-; 5-((4-chlorophenyl)methyl)-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol; CYCLOPENTANOL, 5-((4-CHLOROPHENYL)METHYL)-2,2-DIMETHYL-1-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-; CARAMBA; QUASH; RefChem:156825; 603-031-3; cis-metconazole; Metconazole Solution in Acetonitrile
| Reported hazard statements | H302, H411, H314 (15.3%), H318 (16.9%), H361 (81.4%) |
|---|
H302: Harmful if swallowed [Warning Acute toxicity, oral]
H361d ***: Suspected of damaging the unborn child [Warning Reproductive toxicity]
METCONAZOLE · CAS 125116-23-6 · C17H22ClN3O. UNII A2F791945Q. LogP: 3.93; Collision Cross Section: 185.36 Ų [M+Cl]-; Collision Cross Section: 168.28 Ų [M+H]+.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 乙菌唑