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CAS No.: | 126520-01-2 |
---|---|
Name: | 3-(2-CHLOROPHENYL)-1H-PYRAZOL-5-AMINE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C9H8ClN3 |
Molecular Weight: | 193.636 |
Synonyms: | [5-(2-Chlorophenyl)-1H-Pyrazol-3-yl]amine; |
Density: | 1.378 g/cm3 |
Boiling Point: | 441.426 °C at 760 mmHg |
Flash Point: | 220.767 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-37/38-41 |
Safety: | 26-36/37/39 |
PSA: | 54.70000 |
LogP: | 2.89350 |
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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