5-(Difluoromethyl)-1-methylpyrazole-4-carboxylic Acid - CAS 1204298-65-6
Catalog: |
BB004865 |
Product Name: |
5-(Difluoromethyl)-1-methylpyrazole-4-carboxylic Acid |
CAS: |
1204298-65-6 |
Synonyms: |
5-(difluoromethyl)-1-methyl-4-pyrazolecarboxylic acid; 5-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid |
IUPAC Name: | 5-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid |
Description: | 5-(Difluoromethyl)-1-methylpyrazole-4-carboxylic Acid (CAS# 1204298-65-6) is a useful reagent in the preparation of fluxapyroxad analogs which are anti-fungal agents. |
Molecular Weight: | 176.12 |
Molecular Formula: | C6H6F2N2O2 |
Canonical SMILES: | CN1C(=C(C=N1)C(=O)O)C(F)F |
InChI: | InChI=1S/C6H6F2N2O2/c1-10-4(5(7)8)3(2-9-10)6(11)12/h2,5H,1H3,(H,11,12) |
InChI Key: | CTTXMUZEFPPHGD-UHFFFAOYSA-N |
LogP: | 1.05590 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111362874-A | Preparation method of 3- (difluoromethyl) -1-methyl-1H-pyrazole-4-carboxylic acid | 20200316 |
CN-111362874-B | Preparation method of 3- (difluoromethyl) -1-methyl-1H-pyrazole-4-carboxylic acid | 20200316 |
EP-3650442-A1 | Method for the preparation of difluoromethyl pyrazole carboxylic alkyl ester and its acid | 20181109 |
EP-3650442-B1 | Method for the preparation of difluoromethyl pyrazole carboxylic alkyl ester and its acid | 20181109 |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.03973376 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.03973376 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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