1-(4-CHLOROPHENYL)-3-HYDROXY-1H-PYRAZOLE CAS#: 76205-19-1; 凯望编码 (ChemWhat Code): 1126112

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名1-(4-CHLOROPHENYL)-3-HYDROXY-1H-PYRAZOLE
IUPAC Name2-(4-chlorophenyl)-1H-pyrazol-5-one
分子结构Structure of 1-(4-chlorophenyl)-1H-pyrazol-3-ol CAS 76205-19-1
CAS编号 76205-19-1
EINECS NumberNo data available
MDL NumberMFCD08459260
Beilstein Registry NumberNo data available
别名1-(para-chlorophenyl)-3-hydroxypyrazole, 1-(4-chlorophenyl)-3-hydroxy-1H-pyrazole, 1-(4-chlorophenyl)-1H-3-hydroxypyrazole, 1-(4-chlorophenyl)-3-hydroxypyrazole, 1-(4-chlorophenyl)-1H-pyrazole-3-ol, 1-(4-chlorophenyl)-1H-pyrazol-3-ol, 1-(4-chlorophenyl)-3-pyrazolyl-ol
分子式C9H7ClN2O
分子量194.62
InChIInChI=1S/C9H7ClN2O/c10-7-1-3-8(4-2-7)12-6-5-9(13)11-12/h1-6H,(H,11,13)
InChI KeyDRENHOMDLNJDOG-UHFFFAOYSA-N
Canonical SMILESC1=CC(=CC=C1N2C=CC(=O)N2)Cl
Patent Information
Patent IDTitlePublication Date
CN107540664Pyrazolyl pyrimidine ether compounds and the use thereof (by machine translation)2018
US2017/8853METHOD FOR PRODUCING PYRAZOLE COMPOUND2017
KR2016/33208PLANT DISEASE CONTROL COMPOSITION AND APPLICATION FOR SAME2016

Physical Data

AppearanceYellow powder
SolubilityNo data available
Flash PointNo data available
Refractive indexNo data available
SensitivityNo data available
Melting Point, °C Solvent (Melting Point)
178 – 179methanol
189 – 191
190 – 192benzene
189 – 190
Density, g·cm-3Type (Density)
25crystallographic

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Temperature (NMR Spectroscopy), °C Frequency (NMR Spectroscopy), MHz
Chemical shifts1Hchloroform-d1600
Spectrum1H
Chemical shifts1Hdimethylsulfoxide-d6600
Chemical shifts, Spectrum1Hchloroform-d1
Description (IR Spectroscopy)Solvent (IR Spectroscopy)
Bandspotassium bromide
Description (Mass Spectrometry)
spectrum
LCMS (Liquid chromatography mass spectrometry), Spectrum

Route of Synthesis (ROS)

Route of Synthesis (ROS) of 1-(4-CHLOROPHENYL)-3-HYDROXY-1H-PYRAZOLE CAS 76205-19-1
Route of Synthesis (ROS) of 1-(4-CHLOROPHENYL)-3-HYDROXY-1H-PYRAZOLE CAS 76205-19-1
ConditionsYield
With tetrabutylammomium bromide; potassium hydroxide In methanol at 50℃; for 2h; Temperature; Large scale;96.5%
With potassium carbonate In toluene at 80℃; for 16h;76%
In dimethyl sulfoxide at 25℃; for 1h; Reagent/catalyst;70%

Safety and Hazards

Pictogram(s)exclamation-mark
SignalWarning
GHS Hazard StatementsH315 (97.83%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (97.83%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (97.83%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Information may vary between notifications depending on impurities, additives, and other factors.
Precautionary Statement CodesP261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

TransportationNot Classified
Under the room temperature and away from light
HS CodeNo data available
StorageUnder the room temperature and away from light
Shelf Life2 years
Market PriceUSD
Use Pattern
1-(4-CHLOROPHENYL)-3-HYDROXY-1H-PYRAZOLE CAS#: 76205-19-1 used as a pesticide intermediate, mainly an intermediate of pyraclostrobin.
1-(4-CHLOROPHENYL)-3-HYDROXY-1H-PYRAZOLE CAS#: 76205-19-1 as General chemicals
1-(4-CHLOROPHENYL)-3-HYDROXY-1H-PYRAZOLE CAS#: 76205-19-1 as preparation of intermediate for agricultural chemicals

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