Ethyl 3-(Difluoromethyl)-1-methyl-4-pyrazolecarboxylate - CAS 141573-95-7
Catalog: |
BB009196 |
Product Name: |
Ethyl 3-(Difluoromethyl)-1-methyl-4-pyrazolecarboxylate |
CAS: |
141573-95-7 |
Synonyms: |
3-(difluoromethyl)-1-methyl-4-pyrazolecarboxylic acid ethyl ester; ethyl 3-(difluoromethyl)-1-methylpyrazole-4-carboxylate |
IUPAC Name: | ethyl 3-(difluoromethyl)-1-methylpyrazole-4-carboxylate |
Description: | Ethyl 3-(Difluoromethyl)-1-methyl-4-pyrazolecarboxylate (CAS# 141573-95-7) is useful synthetic intermediate. It can be used to prepare 3-difluoromethylpyrazolecarboxamide fungicides. |
Molecular Weight: | 204.17 |
Molecular Formula: | C8H10F2N2O2 |
Canonical SMILES: | CCOC(=O)C1=CN(N=C1C(F)F)C |
InChI: | InChI=1S/C8H10F2N2O2/c1-3-14-8(13)5-4-12(2)11-6(5)7(9)10/h4,7H,3H2,1-2H3 |
InChI Key: | MRQQMVMIANXDKC-UHFFFAOYSA-N |
Boiling Point: | 288.448 °C at 760 mmHg |
Density: | 1.307 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
LogP: | 1.53440 |
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-112480006-A | Synthetic preparation method of 4-pyrazole ethyl formate | 20201201 |
CN-111233768-A | Preparation method of 3- (difluoromethyl) -1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester | 20200318 |
CN-111233768-B | Preparation method of 3- (difluoromethyl) -1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester | 20200318 |
CN-111039870-A | Preparation method of polyhalogenated methyl pyrazole formate | 20191230 |
CN-110615765-A | (1H-pyrazole-4-formamido) ethyl benzoate compound and preparation method and application thereof | 20191025 |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.07103389 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.07103389 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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