Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-(4-Nitrophenyl)-1H-pyrazole |
EINECS | N/A |
CAS No. | 3463-30-7 | Density | 1.33g/cm3 |
PSA | 63.64000 | LogP | 2.30370 |
Solubility | N/A | Melting Point |
168.5-169 °C |
Formula | C9H7 N3 O2 | Boiling Point | 331.8 °C at 760 mmHg |
Molecular Weight | 189.173 | Flash Point | 154.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Pyrazole,1-(p-nitrophenyl)- (6CI,7CI,8CI);1-(4-Nitrophenyl)-1H-pyrazole;1-(p-Nitrophenyl)pyrazole;1-(4-Nitrophenyl)pyrazole;1-(4-nitrophenyl)-1h-pyrazole 95%; |
Article Data | 59 |
The 1-(4-Nitrophenyl)-1H-pyrazole with cas registry number of 3463-30-7, is also called Pyrazole,1-(p-nitrophenyl)- (6CI,7CI,8CI) ; 1-(4-nitrophenyl)-1h-pyrazole 95% .
Physical properties of -(4-Nitrophenyl)-1H-pyrazole :(1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 30.2; (6)ACD/BCF (pH 7.4): 30.2; (7)ACD/KOC (pH 5.5): 399.02; (8)ACD/KOC (pH 7.4): 399.02; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 63.64 Å2; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 51.59 cm3; (15)Molar Volume: 141.3 cm3; (16)Polarizability: 20.45×10-24cm3; (17)Surface Tension: 58.9 dyne/cm; (18)Enthalpy of Vaporization: 55.18 kJ/mol; (19)Vapour Pressure: 0.000292 mmHg at 25°C.
You can still convert the following datas into molecular structure:(1)SMILES:[O-][N+](=O)c1ccc(cc1)n2nccc2; (2)InChI:InChI=1/C9H7N3O2/c13-12(14)9-4-2-8(3-5-9)11-7-1-6-10-11/h1-7H; (3)InChIKey:PNWPAZGIVRZAER-UHFFFAOYAN; (4)Std. InChI:InChI=1S/C9H7N3O2/c13-12(14)9-4-2-8(3-5-9)11-7-1-6-10-11/h1-7H; (5)Std. InChIKey:PNWPAZGIVRZAER-UHFFFAOYSA-N.