4-(Trifluoromethyl)-1H-pyrazole - CAS 52222-73-8
Catalog: |
BB027749 |
Product Name: |
4-(Trifluoromethyl)-1H-pyrazole |
CAS: |
52222-73-8 |
Synonyms: |
4-(trifluoromethyl)-1H-pyrazole |
IUPAC Name: | 4-(trifluoromethyl)-1H-pyrazole |
Description: | 4-(Trifluoromethyl)-1H-pyrazole (CAS# 52222-73-8) is a liver alcohol dehydrogenase (LADH) inhibitor. |
Molecular Weight: | 136.08 |
Molecular Formula: | C4H3F3N2 |
Canonical SMILES: | C1=C(C=NN1)C(F)(F)F |
InChI: | InChI=1S/C4H3F3N2/c5-4(6,7)3-1-8-9-2-3/h1-2H,(H,8,9) |
InChI Key: | KDEJQUNODYXYBJ-UHFFFAOYSA-N |
Purity: | 97 % |
Appearance: | Solid |
MDL: | MFCD11226572 |
LogP: | 1.42850 |
GHS Hazard Statement: | H301 (92.68%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113372275-A | Synthetic method of 3, 5-diaryl-4-trifluoromethyl pyrazole derivative | 20210602 |
CN-111875543-A | Preparation method of 4-trifluoromethylpyrazole | 20200821 |
WO-2021211882-A1 | Methods for preparing tyrosine receptor kinase inhibitors | 20200415 |
JP-2020079269-A | Plant disease control method | 20200131 |
WO-2021136742-A1 | Herbicidal compounds | 20200102 |
Complexity: | 101 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.02483259 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.02483259 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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