Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate (CAS 769195-26-8) — formula C11H9F3O3, molecular weight 246.18; category organic chemicals.
| CAS Number | 769195-26-8 |
|---|---|
| Molecular Formula | C11H9F3O3 |
| Molecular Weight | 246.18 |
| LogP | 1.9 |
| Category | Organic Chemicals |
Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate is a carbon-based organic compound with CAS registry number 769195-26-8 and molecular formula C11H9F3O3 (molecular weight 246.18), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 769195-26-8
Its molecular formula C11H9F3O3 comprises 11 C, 9 H, 3 F, 3 O atoms.
Also known as: Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate · 3-氧代-4-(2,4,5-三氟苯基)丁酸甲酯
Category: organic chemicals
The CAS registry number of Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate is 769195-26-8.
Molecular formula C11H9F3O3, molecular weight 246.18.
It is also registered under: Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate, 3-氧代-4-(2,4,5-三氟苯基)丁酸甲酯.
Category: Organic Chemicals.
Independent reference data for Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate (CAS 769195-26-8), compiled from public chemistry databases.
| CAS Registry Number | 769195-26-8 |
|---|---|
| PubChem CID | 29942605 |
| Molecular formula | C11H9F3O3 |
| IUPAC name | methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate |
| UNII (FDA) | 5ZX84X8RW5 |
| Molecular Weight | 246.18 |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 246.05037863 |
| Monoisotopic Mass | 246.05037863 |
| Topological Polar Surface Area | 43.4 |
| Heavy Atom Count | 17 |
Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate; 769195-26-8; DTXSID20652348; RefChem:355152; DTXCID80603098; 847-775-9; 3-OXO-4-(2,4,5-TRIFLUORO-PHENYL)-BUTYRIC ACID METHYL ESTER; MFCD09833197; Sitagliptin Impurity 12; Methyl 2,4,5-trifluoro-b-oxo-benzenebutanoate; Methyl 3-oxo-4-(245-trifluorophenyl)butanoate; 2,4,5-Trifluoro-beta-oxo-benzenebutanoic acid methyl ester; Sitagliptin Impurity N9; SCHEMBL725284; 5ZX84X8RW5; SCHEMBL30167907
| Reported hazard statements | H302 (100%), H315 (100%), H319 (100%), H335 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate · CAS 769195-26-8 · C11H9F3O3. UNII 5ZX84X8RW5.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-氧代-4-(2,4,5-三氟苯基)丁酸甲酯