2,5-bis(trifluoromethyl)benzoic acid (CAS 42580-42-7) — formula C9H4F6O2, molecular weight 258.12; category organic chemicals.
| CAS Number | 42580-42-7 |
|---|---|
| Molecular Formula | C9H4F6O2 |
| Molecular Weight | 258.12 |
| LogP | 3.2 |
| Category | Organic Chemicals |
2,5-bis(trifluoromethyl)benzoic acid is a carbon-based organic compound with CAS registry number 42580-42-7 and molecular formula C9H4F6O2 (molecular weight 258.12), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 42580-42-7
Its molecular formula C9H4F6O2 comprises 9 C, 4 H, 6 F, 2 O atoms.
Also known as: 2,5-bis(trifluoromethyl)benzoic acid · 2,5-双(三氟甲基)苯甲酸
Category: organic chemicals
The CAS registry number of 2,5-bis(trifluoromethyl)benzoic acid is 42580-42-7.
Molecular formula C9H4F6O2, molecular weight 258.12.
It is also registered under: 2,5-bis(trifluoromethyl)benzoic acid, 2,5-双(三氟甲基)苯甲酸.
Category: Organic Chemicals.
Independent reference data for 2,5-bis(trifluoromethyl)benzoic acid (CAS 42580-42-7), compiled from public chemistry databases.
| CAS Registry Number | 42580-42-7 |
|---|---|
| PubChem CID | 736187 |
| Molecular formula | C9H4F6O2 |
| IUPAC name | 2,5-bis(trifluoromethyl)benzoic acid |
| UNII (FDA) | ST51007018 |
| Molecular Weight | 258.12 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 1 |
| Exact Mass | 258.01154834 |
| Monoisotopic Mass | 258.01154834 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 17 |
2,5-Bis(trifluoromethyl)benzoic acid; 42580-42-7; 2,5-bis(trifluoroformyl)benzoic acid; CHEBI:60697; DTXSID60352951; RefChem:82722; DTXCID00304015; 630-054-6; PINBPLCVZSKLTF-UHFFFAOYSA-N; MFCD00013249; 2,5-di(trifluoromethyl)benzoic acid; AS00867; SCHEMBL503272; 2,5-Bis(trifluoromethyl)benzoicacid; CK2222; SBB064523
| 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]
2,5-bis(trifluoromethyl)benzoic acid · CAS 42580-42-7 · C9H4F6O2. UNII ST51007018.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2,5-双(三氟甲基)苯甲酸