2-甲基-5-三氟甲基-2H-吡唑-3-羧酸(CAS 128694-63-3):分子式 C6H5F3N2O2、分子量 194.11。
| CAS号 | 128694-63-3 |
|---|---|
| 分子式 | C6H5F3N2O2 |
| 分子量 | 194.11 |
| LogP | 1 |
2-甲基-5-三氟甲基-2H-吡唑-3-羧酸 是一种化工化合物,登记 CAS 号为 128694-63-3,分子式 C6H5F3N2O2(分子量 194.11)。
登记 CAS 号:128694-63-3
其分子式 C6H5F3N2O2 由 6 个碳、5 个氢、3 个氟、2 个氮、2 个氧 组成。
别名/同义词:2-甲基-5-三氟甲基-2H-吡唑-3-羧酸 · 2-METHYL-5-TRIFLUOROMETHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID
2-甲基-5-三氟甲基-2H-吡唑-3-羧酸 的 CAS 登记号为 128694-63-3。
分子式 C6H5F3N2O2,分子量 194.11。
别名/同义词:2-甲基-5-三氟甲基-2H-吡唑-3-羧酸、2-METHYL-5-TRIFLUOROMETHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID。
2-甲基-5-三氟甲基-2H-吡唑-3-羧酸(CAS 128694-63-3)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 128694-63-3 |
|---|---|
| PubChem CID | 606540 |
| Molecular formula | C6H5F3N2O2 |
| IUPAC name | 1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid |
| UNII (FDA) | HMS1543A20 |
| Molecular Weight | 194.11 |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 194.03031189 |
| Monoisotopic Mass | 194.03031189 |
| Topological Polar Surface Area | 55.1 |
| Heavy Atom Count | 13 |
128694-63-3; 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid; DTXSID20345708; RefChem:231744; DTXCID20296781; 673-161-3; 2-Methyl-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid; 2-methyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid; 1h-pyrazole-5-carboxylic acid, 1-methyl-3-(trifluoromethyl)-; MFCD02090853; 1-Methyl-3-trifluoromethyl-1H-pyrazole-5-carboxylic acid; 2-METHYL-5-TRIFLUOROMETHYL-2H-PYRAZOLE-3-CARBOXYLICACID; 1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid; TimTec1_003188; SCHEMBL17920; MLS000850704
| Reported hazard statements | H302 (100%), H312 (33.3%), H315 (100%), H319 (100%), H335 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
2-METHYL-5-TRIFLUOROMETHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID · CAS 128694-63-3 · C6H5F3N2O2. UNII HMS1543A20.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: 2-METHYL-5-TRIFLUOROMETHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID