o-Trifluoromethylbenzoic acid (CAS 433-97-6) — formula C8H5F3O2, molecular weight 190.12; category organic chemicals.
o-Trifluoromethylbenzoic acid is a carbon-based organic compound with CAS registry number 433-97-6 and molecular formula C8H5F3O2 (molecular weight 190.12), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 433-97-6
Its molecular formula C8H5F3O2 comprises 8 C, 5 H, 3 F, 2 O atoms.
Also known as: o-Trifluoromethylbenzoic acid · Alpha,Alpha,Alpha-Trifluoro-o-toluic acid
Category: organic chemicals
The CAS registry number of o-Trifluoromethylbenzoic acid is 433-97-6.
Molecular formula C8H5F3O2, molecular weight 190.12.
It is also registered under: o-Trifluoromethylbenzoic acid, Alpha,Alpha,Alpha-Trifluoro-o-toluic acid.
Category: Organic Chemicals.
Public-database records for o-Trifluoromethylbenzoic acid (CAS 433-97-6), reproduced here for independent cross-checking.
| Reported hazard statements | H315 (100%), H319 (100%), H335 (98.7%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
| CAS Registry Number | 433-97-6 |
|---|---|
| PubChem CID | 9899 |
| 分子式 | C8H5F3O2 |
| IUPAC 名称 | 2-(trifluoromethyl)benzoic acid |
| UNII（FDA） | 0R1CK7MZUA |
2-(Trifluoromethyl)benzoic acid; 433-97-6; 2-Trifluoromethylbenzoic acid; o-Trifluoromethylbenzoic acid; alpha,alpha,alpha-Trifluoro-o-toluic acid; Benzoic acid, 2-(trifluoromethyl)-; 2-TFMBA; 0R1CK7MZUA; CHEBI:60694; NSC-88326; DTXSID90870537; RefChem:462548; ortho-trifluormethylbenzoic acid; DTXCID10818254; 207-093-9; MFCD00002476
| 分子量 | 190.12 |
|---|---|
| XLogP3 | 1.3 |
| 氢键供体数 | 1 |
| 氢键受体数 | 5 |
| 可旋转键数 | 1 |
| 精确质量 | 190.02416388 |
| 单同位素质量 | 190.02416388 |
| 拓扑极性表面积 | 37.3 |
| 重原子数 | 13 |
| 形式电荷 | 0 |
o-Trifluoromethylbenzoic acid · CAS 433-97-6 · C8H5F3O2. UNII 0R1CK7MZUA.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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