1H-Pyrazole-3-carboxylicacid, 5-(3-chlorophenyl)- supplier

Name
5-(3-CHLOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
EINECS
CAS No. 595610-50-7
Article Data2
CAS DataBase
Density 1.477 g/cm³
Solubility
Melting Point 238-240℃
Formula C₁₀H₇ClN₂O₂
Boiling Point 520.879 °C at 760 mmHg
Molecular Weight 222.631
Flash Point 268.818 °C
Transport Information
Appearance
Safety 7/8-36/37
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols
Synonyms 5-(3-Chlorophenyl)-1H-pyrazole-3-carboxylic acid;
PSA 65.98000
LogP 2.42830

1H-Pyrazole-3-carboxylicacid, 5-(3-chlorophenyl)- Specification

The 1H-Pyrazole-3-carboxylicacid, 5-(3-chlorophenyl)-, with the CAS registry number of 595610-50-7, is also known as 5-(3-Chlorophenyl)-1H-pyrazole-3-carboxylic acid, 97%. This chemical's molecular formula is C₁₀H₇ClN₂O₂ and molecular weight is 222.63. What's more, its systematic name is called 5-(3-Chlorophenyl)-1H-pyrazole-3-carboxylic acid.

Physical properties about 1H-Pyrazole-3-carboxylicacid, 5-(3-chlorophenyl)- are: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.796; (4)ACD/LogD (pH 7.4): 0.403; (5)ACD/BCF (pH 5.5): 5.643; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 42.243; (8)ACD/KOC (pH 7.4): 1.712; (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)Surface Tension: 67.686 dyne/cm; (17)Density: 1.477 g/cm³; (18)Flash Point: 268.818 °C; (19)Enthalpy of Vaporization: 83.585 kJ/mol; (20)Boiling Point: 520.879 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(cc(c1)Cl)c2cc(n[nH]2)C(=O)O
(2) InChI: InChI=1/C10H7ClN2O2/c11-7-3-1-2-6(4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
(3) InChIKey: XJZLQBGNAQXXGE-UHFFFAOYAH

Product Name

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

1H-Pyrazole-3-carboxylicacid, 5-(3-chlorophenyl)- Specification

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