3-(Trifluoromethyl)-benzoic acid ethyl ester (CAS 76783-59-0) — formula C10H9F3O2, molecular weight 218.17; category organic chemicals.
| CAS Number | 76783-59-0 |
|---|---|
| Molecular Formula | C10H9F3O2 |
| Molecular Weight | 218.17 |
| LogP | 3.6 |
| Category | Organic Chemicals |
3-(Trifluoromethyl)-benzoic acid ethyl ester is a carbon-based organic compound with CAS registry number 76783-59-0 and molecular formula C10H9F3O2 (molecular weight 218.17), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 76783-59-0
Its molecular formula C10H9F3O2 comprises 10 C, 9 H, 3 F, 2 O atoms.
Also known as: 3-(Trifluoromethyl)-benzoic acid ethyl ester · 3-(三氟甲基)-苯甲酸乙酯
Category: organic chemicals
The CAS registry number of 3-(Trifluoromethyl)-benzoic acid ethyl ester is 76783-59-0.
Molecular formula C10H9F3O2, molecular weight 218.17.
It is also registered under: 3-(Trifluoromethyl)-benzoic acid ethyl ester, 3-(三氟甲基)-苯甲酸乙酯.
Category: Organic Chemicals.
Independent reference data for 3-(Trifluoromethyl)-benzoic acid ethyl ester (CAS 76783-59-0), compiled from public chemistry databases.
| CAS Registry Number | 76783-59-0 |
|---|---|
| PubChem CID | 144790 |
| Molecular formula | C10H9F3O2 |
| IUPAC name | ethyl 3-(trifluoromethyl)benzoate |
| UNII (FDA) | ST50407025 |
| Molecular Weight | 218.17 |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 218.05546401 |
| Monoisotopic Mass | 218.05546401 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 15 |
Ethyl 3-(trifluoromethyl)benzoate; Benzoic acid, 3-(trifluoromethyl)-, ethyl ester; Ethyl m-trifluoromethylbenzoate; Ethyl-3-trifluoromethyl benzoate; DTXSID40227592; 3-Trifluoromethylbenzoic acid, ethyl ester; RefChem:118391; DTXCID90150083; MHNBTKIAHHECCQ-UHFFFAOYSA-N; 76783-59-0; 3-(trifluoromethyl)benzoic acid ethyl ester; MFCD00013560; ethyl-3-(trifluoromethyl)benzoate; ETHYL A,A,A-TRIFLUORO-M-TOLUATE; ethyl 3-trifluoromethylbenzoate; ethyl 3-trifluoromethyl-benzoate
| Reported hazard statements | H315 (100%), H319 (100%), H335 (100%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
3-(Trifluoromethyl)-benzoic acid ethyl ester · CAS 76783-59-0 · C10H9F3O2. UNII ST50407025.
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)-苯甲酸乙酯