1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID (CAS 113100-53-1) — formula C6H5F3N2O2, molecular weight 194.11; category organic chemicals.
| CAS Number | 113100-53-1 |
|---|---|
| Molecular Formula | C6H5F3N2O2 |
| Molecular Weight | 194.11 |
| LogP | 0.7 |
| Applications | Use Classification: Environmental transformation -> Pesticide transformation products (metabolite, successor) |
| Category | Organic Chemicals |
Documented applications: Use Classification: Environmental transformation -> Pesticide transformation products (metabolite, successor).
1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID is a carbon-based organic compound with CAS registry number 113100-53-1 and molecular formula C6H5F3N2O2 (molecular weight 194.11), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 113100-53-1
Its molecular formula C6H5F3N2O2 comprises 6 C, 5 H, 3 F, 2 N, 2 O atoms.
Also known as: 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID · 1-甲基-3-(三氟甲基)-1H-吡唑-4-羧酸
Category: organic chemicals
The CAS registry number of 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID is 113100-53-1.
Molecular formula C6H5F3N2O2, molecular weight 194.11.
It is also registered under: 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID, 1-甲基-3-(三氟甲基)-1H-吡唑-4-羧酸.
Recorded applications: Use Classification: Environmental transformation -> Pesticide transformation products (metabolite, successor).
Category: Organic Chemicals.
Independent reference data for 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID (CAS 113100-53-1), compiled from public chemistry databases.
| CAS Registry Number | 113100-53-1 |
|---|---|
| PubChem CID | 2775665 |
| Molecular formula | C6H5F3N2O2 |
| IUPAC name | 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid |
| UNII (FDA) | AM20080080 |
| Molecular Weight | 194.11 |
|---|---|
| XLogP3 | 0.7 |
| 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 |
113100-53-1; 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid; DTXSID20379644; RefChem:76265; DTXCID80330670; 601-232-0; 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic Acid; 3-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid; MFCD01936005; 1-methyl-3-trifluoromethyl-4-pyrazolecarboxylic acid; 1-methyl-3-trifluoromethyl-1h-pyrazole-4-carboxylic acid; Penthiopyrad metabolite PCA; TD8034; AKOS005069408; 11M-321S; M2628
| Reported hazard statements | H302 (25%), H312 (25%), H315 (100%), H319 (100%), H332 (25%), H335 (75%) |
|---|
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]
1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID · CAS 113100-53-1 · C6H5F3N2O2. UNII AM20080080.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1-甲基-3-(三氟甲基)-1H-吡唑-4-羧酸