5-(4-Chlorophenyl)-1H-pyrazole-3-carboxylic acid supplier

Name
5-(4-CHLOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
EINECS
CAS No. 54006-63-2
Article Data5
CAS DataBase
Density 1.477 g/cm³
Solubility
Melting Point
Formula C₁₀H₇ClN₂O₂
Boiling Point 515.704 °C at 760 mmHg
Molecular Weight 222.631
Flash Point 265.689 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols
Synonyms 5-(4-Chlorophenyl)-1H-pyrazole-3-carboxylicacid;5-(4-Chlorophenyl)pyrazole-3-carboxylic acid;
PSA 65.98000
LogP 2.42830

5-(4-Chlorophenyl)-1H-pyrazole-3-carboxylic acid Specification

The 5-(4-Chlorophenyl)-1H-pyrazole-3-carboxylic acid with the CAS number 54006-63-2 is also called 1H-Pyrazole-3-carboxylicacid, 5-(4-chlorophenyl)-. The systematic name is 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid. Its molecular formula is C₁₀H₇ClN₂O₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 5-(4-Chlorophenyl)-1H-pyrazole-3-carboxylic acid are: (1)ACD/LogP: 3.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.874; (4)ACD/LogD (pH 7.4): 0.481; (5)ACD/BCF (pH 5.5): 6.466; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 46.568; (8)ACD/KOC (pH 7.4): 1.887; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 65.98 Å²; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 55.194 cm³; (15)Molar Volume: 150.745 cm³; (16)Polarizability: 21.881×10^-24cm³; (17)Surface Tension: 67.686 dyne/cm; (18)Enthalpy of Vaporization: 82.924 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1c2cc(n[nH]2)C(=O)O)Cl
(2)InChI: InChI=1/C10H7ClN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
(3)InChIKey: WYTQCLKZYRFUIQ-UHFFFAOYAS

Product Name

5-(4-CHLOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID

5-(4-Chlorophenyl)-1H-pyrazole-3-carboxylic acid Specification

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