Alpha,Alpha,Alpha-Trifluoro-m-toluic acid (CAS 454-92-2) — formula C8H5F3O2, molecular weight 190.12; category organic chemicals.
| CAS Number | 454-92-2 |
|---|---|
| Molecular Formula | C8H5F3O2 |
| Molecular Weight | 190.12 |
| LogP | 2.95 |
| Category | Organic Chemicals |
Alpha,Alpha,Alpha-Trifluoro-m-toluic acid is a carbon-based organic compound with CAS registry number 454-92-2 and molecular formula C8H5F3O2 (molecular weight 190.12), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 454-92-2
Its molecular formula C8H5F3O2 comprises 8 C, 5 H, 3 F, 2 O atoms.
Also known as: Alpha,Alpha,Alpha-Trifluoro-m-toluic acid · α,α,α-三氟间甲基苯甲酸
Category: organic chemicals
The CAS registry number of Alpha,Alpha,Alpha-Trifluoro-m-toluic acid is 454-92-2.
Molecular formula C8H5F3O2, molecular weight 190.12.
It is also registered under: Alpha,Alpha,Alpha-Trifluoro-m-toluic acid, α,α,α-三氟间甲基苯甲酸.
Category: Organic Chemicals.
Independent reference data for Alpha,Alpha,Alpha-Trifluoro-m-toluic acid (CAS 454-92-2), compiled from public chemistry databases.
| CAS Registry Number | 454-92-2 |
|---|---|
| PubChem CID | 9963 |
| Molecular formula | C8H5F3O2 |
| IUPAC name | 3-(trifluoromethyl)benzoic acid |
| UNII (FDA) | 930H336M90 |
| Molecular Weight | 190.12 |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 190.02416388 |
| Monoisotopic Mass | 190.02416388 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 13 |
| LogP | 2.95 |
|---|---|
| Ionization Efficiency | 1.16 |
| Ionization Efficiency | 10.5 |
| Ionization Efficiency | MeCN (80%) |
3-(Trifluoromethyl)benzoic acid; 454-92-2; Benzoic acid, 3-(trifluoromethyl)-; 3-TRIFLUOROMETHYLBENZOIC ACID; alpha,alpha,alpha-Trifluoro-m-toluic acid; m-(Trifluoromethyl)benzoic acid; 3-Trifluoromethylbenzoate; DTXSID2041460; 3-TFMBA; NSC-43025; 930H336M90; DTXCID0021460; CHEBI:60695; m-Toluic acid, alpha,alpha,alpha-trifluoro-; RefChem:496375; meta-trifluoromethylbenzoate
| Reported hazard statements | H315 (100%), H319 (100%), H335 (97.9%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Alpha,Alpha,Alpha-Trifluoro-m-toluic acid · CAS 454-92-2 · C8H5F3O2. UNII 930H336M90. LogP: 2.95; Ionization Efficiency: 1.16; Ionization Efficiency: 10.5.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: α,α,α-三氟间甲基苯甲酸