5-(2-Chlorophenyl)-1H-pyrazol-3-amine supplier

Name
3-(2-CHLOROPHENYL)-1H-PYRAZOL-5-AMINE
EINECS
CAS No. 126520-01-2
Article Data8
CAS DataBase
Density 1.378 g/cm³
Solubility
Melting Point
Formula C₉H₈ClN₃
Boiling Point 441.426 °C at 760 mmHg
Molecular Weight 193.636
Flash Point 220.767 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 22-37/38-41
Molecular Structure
Hazard Symbols Xn
Synonyms [5-(2-Chlorophenyl)-1H-Pyrazol-3-yl]amine;
PSA 54.70000
LogP 2.89350

5-(2-Chlorophenyl)-1H-pyrazol-3-amine Specification

The 1H-Pyrazol-3-amine,5-(2-chlorophenyl)-, with the CAS registry number 126520-01-2, is also known as 3-(2-chlorophenyl)-1H-pyrazol-5-amine. This chemical's molecular formula is C₉H₈ClN₃ and molecular weight is 193.63. What's more, its systematic name is called 5-(2-Chlorophenyl)-1H-pyrazol-3-amine.

Physical properties about 1H-Pyrazol-3-amine,5-(2-chlorophenyl)- are: (1)ACD/LogP: 1.813; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.81; (4)ACD/LogD (pH 7.4): 1.81; (5)ACD/BCF (pH 5.5): 13.86; (6)ACD/BCF (pH 7.4): 14.05; (7)ACD/KOC (pH 5.5): 227.68; (8)ACD/KOC (pH 7.4): 230.74; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.7 Å²; (13)Index of Refraction: 1.67; (14)Molar Refractivity: 52.5 cm³; (15)Molar Volume: 140.495 cm³; (16)Polarizability: 20.813×10^-24cm³; (17)Surface Tension: 63.171 dyne/cm; (18)Density: 1.378 g/cm³; (19)Flash Point: 220.767 °C; (20)Enthalpy of Vaporization: 69.872 kJ/mol; (21)Boiling Point: 441.426 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccccc1c2cc(nn2)N
(2) InChI: InChI=1S/C9H8ClN3/c10-7-4-2-1-3-6(7)8-5-9(11)13-12-8/h1-5H,(H3,11,12,13)
(3) InChIKey: CCHHJUFHNSRPLT-UHFFFAOYSA-N

Product Name

3-(2-CHLOROPHENYL)-1H-PYRAZOL-5-AMINE

5-(2-Chlorophenyl)-1H-pyrazol-3-amine Specification

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