5-Chloro-2-(trifluoromethyl)benzoic acid (CAS 654-98-8) — formula C8H4ClF3O2, molecular weight 224.56; category organic chemicals.
| CAS Number | 654-98-8 |
|---|---|
| Molecular Formula | C8H4ClF3O2 |
| Molecular Weight | 224.56 |
| LogP | 3 |
| Category | Organic Chemicals |
5-Chloro-2-(trifluoromethyl)benzoic acid is a carbon-based organic compound with CAS registry number 654-98-8 and molecular formula C8H4ClF3O2 (molecular weight 224.56), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 654-98-8
Its molecular formula C8H4ClF3O2 comprises 8 C, 4 H, 1 Cl, 3 F, 2 O atoms.
Also known as: 5-Chloro-2-(trifluoromethyl)benzoic acid · 5-氯-2-(三氟甲基)苯甲酸
Category: organic chemicals
The CAS registry number of 5-Chloro-2-(trifluoromethyl)benzoic acid is 654-98-8.
Molecular formula C8H4ClF3O2, molecular weight 224.56.
It is also registered under: 5-Chloro-2-(trifluoromethyl)benzoic acid, 5-氯-2-(三氟甲基)苯甲酸.
Category: Organic Chemicals.
Independent reference data for 5-Chloro-2-(trifluoromethyl)benzoic acid (CAS 654-98-8), compiled from public chemistry databases.
| CAS Registry Number | 654-98-8 |
|---|---|
| PubChem CID | 2773859 |
| Molecular formula | C8H4ClF3O2 |
| IUPAC name | 5-chloro-2-(trifluoromethyl)benzoic acid |
| UNII (FDA) | ST50407395 |
| Molecular Weight | 224.56 |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 223.9851915 |
| Monoisotopic Mass | 223.9851915 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 14 |
5-Chloro-2-(trifluoromethyl)benzoic acid; 654-98-8; DTXSID20378758; RefChem:302362; DTXCID20329785; 5-Chloro-2-trifluoromethylbenzoic acid; MFCD01631353; 5-Chloro-2-(trifluoromethyl)benzoicacid; Benzoic acid, 5-chloro-2-(trifluoromethyl)-; 5-chloro-2-trifluoromethyl-benzoic acid; 3-Chloro-6-trifluoro-methyl benzoic acid; SCHEMBL950905; FWLFUSUVWNEKRN-UHFFFAOYSA-N; SBB096709; AKOS015850404; AC-4480
| 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]
5-Chloro-2-(trifluoromethyl)benzoic acid · CAS 654-98-8 · C8H4ClF3O2. UNII ST50407395.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 5-氯-2-(三氟甲基)苯甲酸