1H-Pyrazol-4-ol supplier | CasNO.4843-98-5

Name
4-hydroxypyrazole
EINECS 1592732-453-0
CAS No. 4843-98-5
Article Data9
CAS DataBase
Density 1.415 g/cm³
Solubility
Melting Point
Formula C₃H₄N₂O
Boiling Point 326.1 °C at 760 mmHg
Molecular Weight 84.0776
Flash Point 151 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrazol-4-ol(8CI);4-Hydroxypyrazole;
PSA 48.91000
LogP 0.11530

1H-Pyrazol-4-ol Specification

The 1H-Pyrazol-4-ol is an organic compound with the formula C₃H₄N₂O. The IUPAC name of this chemical is 1H-pyrazol-4-ol. With the CAS registry number 4843-98-5, it is also named as 4-hydroxypyrazole.

Physical properties about 1H-Pyrazol-4-ol are: (1)ACD/LogP: -0.42; (2)ACD/LogD (pH 5.5): -0.43; (3)ACD/LogD (pH 7.4): -0.43; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 13.72; (7)ACD/KOC (pH 7.4): 13.79; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 27.05 Å²; (12)Index of Refraction: 1.612; (13)Molar Refractivity: 20.65 cm³; (14)Molar Volume: 59.4 cm³; (15)Polarizability: 8.18×10^-24cm³; (16)Surface Tension: 77 dyne/cm; (17)Density: 1.415 g/cm³; (18)Flash Point: 151 °C; (19)Enthalpy of Vaporization: 59.09 kJ/mol; (20)Boiling Point: 326.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000116 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cnnc1
(2)InChI: InChI=1/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)
(3)InChIKey: KAUABWYBFARJAF-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)
(5)Std. InChIKey: KAUABWYBFARJAF-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	92mg/kg (92mg/kg)	LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL"	Acta Pharmacologica et Toxicologica. Vol. 48, Pg. 418, 1981.

Product Name

4-hydroxypyrazole

1H-Pyrazol-4-ol Specification

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