3-(Trifluoromethyl)anisole (CAS 454-90-0) — formula C8H7F3O, molecular weight 176.14; category organic chemicals.
| CAS Number | 454-90-0 |
|---|---|
| Molecular Formula | C8H7F3O |
| Molecular Weight | 176.14 |
| LogP | 2.79 |
| Category | Organic Chemicals |
3-(Trifluoromethyl)anisole is a carbon-based organic compound with CAS registry number 454-90-0 and molecular formula C8H7F3O (molecular weight 176.14), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 454-90-0
Its molecular formula C8H7F3O comprises 8 C, 7 H, 3 F, 1 O atoms.
Also known as: 3-(Trifluoromethyl)anisole · 3-(三氟甲基)苯甲醚
Category: organic chemicals
The CAS registry number of 3-(Trifluoromethyl)anisole is 454-90-0.
Molecular formula C8H7F3O, molecular weight 176.14.
It is also registered under: 3-(Trifluoromethyl)anisole, 3-(三氟甲基)苯甲醚.
Category: Organic Chemicals.
Independent reference data for 3-(Trifluoromethyl)anisole (CAS 454-90-0), compiled from public chemistry databases.
| CAS Registry Number | 454-90-0 |
|---|---|
| PubChem CID | 96691 |
| Molecular formula | C8H7F3O |
| IUPAC name | 1-methoxy-3-(trifluoromethyl)benzene |
| UNII (FDA) | NS00043510 |
| Molecular Weight | 176.14 |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 176.04489933 |
| Monoisotopic Mass | 176.04489933 |
| Topological Polar Surface Area | 9.2 |
| Heavy Atom Count | 12 |
| LogP | 2.79 |
|---|
3-(Trifluoromethyl)anisole; 454-90-0; 1-methoxy-3-(trifluoromethyl)benzene; EINECS 207-229-7; DTXSID60196498; NSC 86566; RefChem:496364; DTXCID70118989; 207-229-7; InChI=1/C8H7F3O/c1-12-7-4-2-3-6(5-7)8(9,10)11/h2-5H,1H; 3-methoxybenzotrifluoride; 3-Trifluoromethylanisole; Benzene, 1-methoxy-3-(trifluoromethyl)-; MFCD00000385; 3-methoxy-1-(trifluoromethyl)benzene; m-(Trifluoromethyl)anisole
| Reported hazard statements | H226 (100%), H315 (87.5%), H319 (87.5%), H335 (75%) |
|---|
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
H315 (87.5%): Causes skin irritation [Warning Skin corrosion/irritation]
3-(Trifluoromethyl)anisole · CAS 454-90-0 · C8H7F3O. UNII NS00043510. LogP: 2.79.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-(三氟甲基)苯甲醚