3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carbonyl Chloride - CAS 141573-96-8
Catalog: |
BB067553 |
Product Name: |
3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carbonyl Chloride |
CAS: |
141573-96-8 |
Synonyms: |
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbonyl chloride; 3-(DIFLUOROMETHYL)-1-METHYLPYRAZOLE-4-CARBONYL CHLORIDE; 1-Methyl-3-difluoromethyl-1H-pyrazole-4-carbonyl chloride; 1H-Pyrazole-4-carbonyl chloride, 3-(difluoromethyl)-1-methyl-; 3-(difluoromethyl)-1-methyl-1 H-pyrazole-4-carbonyl chloride |
IUPAC Name: | 3-(difluoromethyl)-1-methylpyrazole-4-carbonyl chloride |
Description: | 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carbonyl Chloride is used in the synthesis of Pydiflumetofen (P999040). |
Molecular Weight: | 194.57 |
Molecular Formula: | C6H5ClF2N2O |
Canonical SMILES: | CN1C=C(C(=N1)C(F)F)C(=O)Cl |
InChI: | InChI=1S/C6H5ClF2N2O/c1-11-2-3(5(7)12)4(10-11)6(8)9/h2,6H,1H3 |
InChI Key: | MZGPCLIDFPCPTI-UHFFFAOYSA-N |
References: | Rajan, Ramya., et al. PCT Int. Appl., 2010063700 (2010). |
GHS Hazard Statement: | H317 (98.73%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P264+P265, P272, P273, P280, P302+P352, P305+P354+P338, P317, P321, P333+P313, P362+P364, and P501 |
Signal Word: | Danger |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.0058468 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.0058468 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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