3-(4-Chloro-2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole - CAS 142623-48-1
Catalog: |
BB062337 |
Product Name: |
3-(4-Chloro-2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole |
CAS: |
142623-48-1 |
Synonyms: |
1-Methyl-3-(4-chloro-2-fluoro-5-methylphenyl)-5-(trifluoromethyl)pyrazole |
IUPAC Name: | 3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole |
Description: | 3-(4-Chloro-2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole is an intermediate in the synthesis of Fluazolate (F407500), the active ingredient in the preparation of agrochemicals and drugs in amorphous form. |
Molecular Weight: | 292.66 |
Molecular Formula: | C12H9ClF4N2 |
Canonical SMILES: | CC1=CC(=C(C=C1Cl)F)C2=NN(C(=C2)C(F)(F)F)C |
InChI: | InChI=1S/C12H9ClF4N2/c1-6-3-7(9(14)4-8(6)13)10-5-11(12(15,16)17)19(2)18-10/h3-5H,1-2H3 |
InChI Key: | YNQXHQDFBVIEDP-UHFFFAOYSA-N |
Melting Point: | 44-48°C |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Orange Solid |
Storage: | -20°C Freezer |
References: | Foster, R. S., et al. Org. Lett., 14, 4858 (2012). |
GHS Hazard Statement: | H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] |
Precautionary Statement: | P273, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112745269-A | Phenyl isoxazoline compound and application thereof | 20191029 |
WO-2021082901-A1 | Phenylisoxazoline compound and use thereof | 20191029 |
US-5969153-A | Preparation of substituted 3-aryl-5-haloalkyl-pyrazoles having herbicidal activity | 19960620 |
CA-2194771-A1 | Heterocyclic- and carbocyclic-substituted benzoic acids and synthesis thereof | 19940720 |
CZ-11797-A3 | Heterocyclicaly and carbocyclicaly substituted benzoic acids and process for preparing thereof | 19940720 |
EP-0772598-A1 | Heterocyclic- and carbocyclic-substituted benzoic acids and synthesis thereof | 19940720 |
EP-0772598-B1 | Preparation of heterocyclic- and carbocyclic-substituted benzoic acids | 19940720 |
HU-219718-B | Process for the preparation of pyrazolylbenzoic acid derivatives | 19940720 |
RU-2154637-C2 | Method of preparing phenyl-substituted pyrazole derivatives | 19940720 |
US-5587485-A | Heterocyclic- and carbocyclic- substituted benzoic acids and synthesis thereof | 19940720 |
Complexity: | 325 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 292.0390386 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 292.0390386 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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