1H-Pyrazole-3-carboxylicacid,4-chloro-(9CI)

The 1H-Pyrazole-3-carboxylicacid, 4-chloro-, with the CAS registry number 84547-87-5, is also known as 4-Chloropyrazole-3-carboxylic acid. It belongs to the product category of Carboxylicacid. This chemical's molecular formula is C₄H₃ClN₂O₂ and molecular weight is 146.53. What's more, its systematic name is 4-chloro-1H-pyrazole-5-carboxylic acid. 

Physical properties of 1H-Pyrazole-3-carboxylicacid, 4-chloro- are: (1)ACD/LogP: 0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.76; (4)ACD/LogD (pH 7.4): -3.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.12 Å²; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 30.6 cm³; (15)Molar Volume: 85.4 cm³; (16)Polarizability: 12.13×10^-24cm³; (17)Surface Tension: 84.3 dyne/cm; (18)Density: 1.714 g/cm³; (19)Flash Point: 189.5 °C; (20)Enthalpy of Vaporization: 67.41 kJ/mol; (21)Boiling Point: 389.8 °C at 760 mmHg; (22)Vapour Pressure: 8.98E-07 mmHg at 25°C.

Preparation of 1H-Pyrazole-3-carboxylicacid, 4-chloro-: this chemical can be prepared by 4-chloro-3-methyl-1(2)H-pyrazole at the temperature of 60 °C. This reaction will need reagent KMnO₄ and solvent H₂O. The yield is about 40%.

Uses of 1H-Pyrazole-3-carboxylicacid, 4-chloro-: it can be used to produce 4-chloro-3(5)-nitropyrazole-5(3)-carboxylic acid at the temperature of 65 - 70 °C. It will need reagent 99% HNO₃, 20% oleum with the reaction time of 2 hours. The yield is about 83.1%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cnnc1C(=O)O
(2)InChI: InChI=1S/C4H3ClN2O2/c5-2-1-6-7-3(2)4(8)9/h1H,(H,6,7)(H,8,9)
(3)InChIKey: ZOLUACWHRMUETA-UHFFFAOYSA-N