1-(4-Chlorophenyl)pyrazol-3(2H)-one - CAS 76205-19-1
Catalog: |
BB035520 |
Product Name: |
1-(4-Chlorophenyl)pyrazol-3(2H)-one |
CAS: |
76205-19-1 |
Synonyms: |
2-(4-chlorophenyl)-1H-pyrazol-5-one; 2-(4-chlorophenyl)-1H-pyrazol-5-one |
IUPAC Name: | 2-(4-chlorophenyl)-1H-pyrazol-5-one |
Description: | 1-(4-Chlorophenyl)pyrazol-3(2H)-one (CAS# 76205-19-1) is also used in the synthesis of antifungal, oxazolidinon-based strobilurin analogues. Also used in the preparation of heterologous haptens for the synthesis of high-affinity anti-pyraclostrobin antibody generation. |
Molecular Weight: | 194.62 |
Molecular Formula: | C9H7ClN2O |
Canonical SMILES: | C1=CC(=CC=C1N2C=CC(=O)N2)Cl |
InChI: | InChI=1S/C9H7ClN2O/c10-7-1-3-8(4-2-7)12-6-5-9(13)11-12/h1-6H,(H,11,13) |
InChI Key: | DRENHOMDLNJDOG-UHFFFAOYSA-N |
Density: | 1.373 g/cm3 |
LogP: | 2.23130 |
GHS Hazard Statement: | H315 (97.85%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (97.85%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (97.85%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021152083-A | Pest control method | 20210702 |
JP-2021152084-A | Pest control method | 20210702 |
CN-112480009-A | Green synthesis process of 1- (4-chlorphenyl) -3-pyrazole alcohol | 20201207 |
CN-111454191-A | Production device and method of 2- [ (N-p-chlorophenyl) -3-pyrazolyloxymethyl ] nitrobenzene | 20200529 |
CN-111454208-A | Production method of 2- [ (N-p-chlorophenyl) -3-pyrazolyloxymethyl ] nitrobenzene | 20200529 |
PMID | Publication Date | Title | Journal |
21580070 | 20091219 | 1-(4-Chloro-phen-yl)-1H-pyrazol-3-ol | Acta crystallographica. Section E, Structure reports online |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.0246905 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.0246905 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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