4-(trifluoromethoxy)acetophenone (CAS 85013-98-5) — formula C9H7F3O2, molecular weight 204.15; category organic chemicals.
4-(trifluoromethoxy)acetophenone is a carbon-based organic compound with CAS registry number 85013-98-5 and molecular formula C9H7F3O2 (molecular weight 204.15), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85013-98-5
Its molecular formula C9H7F3O2 comprises 9 C, 7 H, 3 F, 2 O atoms.
Also known as: 4-(trifluoromethoxy)acetophenone · 4'-(Trifluoromethoxy)acetophenone
Category: organic chemicals
The CAS registry number of 4-(trifluoromethoxy)acetophenone is 85013-98-5.
Molecular formula C9H7F3O2, molecular weight 204.15.
It is also registered under: 4-(trifluoromethoxy)acetophenone, 4'-(Trifluoromethoxy)acetophenone.
Category: Organic Chemicals.
Public-database records for 4-(trifluoromethoxy)acetophenone (CAS 85013-98-5), reproduced here for independent cross-checking.
| Reported hazard statements | H302 (40%), H315 (100%), H319 (100%), H335 (80%) |
|---|
H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
| CAS Registry Number | 85013-98-5 |
|---|---|
| PubChem CID | 522821 |
| 分子式 | C9H7F3O2 |
| IUPAC 名称 | 1-[4-(trifluoromethoxy)phenyl]ethanone |
| UNII（FDA） | 0Q4W8V7RF6 |
4'-(Trifluoromethoxy)acetophenone; 1-(4-(trifluoromethoxy)phenyl)ethanone; 1-[4-(trifluoromethoxy)phenyl]ethanone; 1-[4-(trifluoromethoxy)phenyl]ethan-1-one; 1-(4-(Trifluoromethoxy)phenyl)ethan-1-one; Ethanone, 1-[4-(trifluoromethoxy)phenyl]-; 0Q4W8V7RF6; UNII-0Q4W8V7RF6; EINECS 285-066-0; DTXSID10234076; ETHANONE, 1-(4-(TRIFLUOROMETHOXY)PHENYL)-; RefChem:74398; DTXCID10156567; 285-066-0; 85013-98-5; 4'-Trifluoromethoxyacetophenone
| 分子量 | 204.15 |
|---|---|
| XLogP3 | 3 |
| 氢键供体数 | 0 |
| 氢键受体数 | 5 |
| 可旋转键数 | 2 |
| 精确质量 | 204.03981395 |
| 单同位素质量 | 204.03981395 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 14 |
| 形式电荷 | 0 |
4-(trifluoromethoxy)acetophenone · CAS 85013-98-5 · C9H7F3O2. UNII 0Q4W8V7RF6.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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