3-(4-Nitrophenyl)-1H-pyrazole supplier

Name
3-(4-NITROPHENYL)PYRAZOLE
EINECS
CAS No. 20583-31-7
Article Data16
CAS DataBase
Density 1.369 g/cm³
Solubility
Melting Point 195-197 °C
Formula C₉H₇N₃O₂
Boiling Point 430 °C at 760 mmHg
Molecular Weight 189.173
Flash Point 213.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Pyrazole,3(or 5)-(p-nitrophenyl)- (6CI);Pyrazole, 3-(p-nitrophenyl)- (8CI);3-(4-Nitrophenyl)-1H-pyrazole;
PSA 74.50000
LogP 2.50810

3-(4-Nitrophenyl)-1H-pyrazole Specification

The CAS register number of 1H-Pyrazole,3-(4-nitrophenyl)- is 20583-31-7. It also can be called as 3-(4-Nitrophenyl)-1H-pyrazole and the IUPAC name about this chemical is 5-(4-nitrophenyl)-1H-pyrazole. The molecular formula about this chemical is C₉H₇N₃O₂and the molecular weight is 189.17.

Physical properties about 1H-Pyrazole,3-(4-nitrophenyl)- are: (1)ACD/LogP: 1.69; (2)ACD/LogD (pH 5.5): 1.69; (3)ACD/LogD (pH 7.4): 1.69; (4)ACD/BCF (pH 5.5): 11.35; (5)ACD/BCF (pH 7.4): 11.35; (6)ACD/KOC (pH 5.5): 198.09; (7)ACD/KOC (pH 7.4): 198.09; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 63.64 Å²; (12)Index of Refraction: 1.642; (13)Molar Refractivity: 49.91 cm³; (14)Molar Volume: 138.1 cm³; (15)Polarizability: 19.78x10^-24cm³; (16)Surface Tension: 63.5 dyne/cm; (17)Flash Point: 213.9 °C; (18)Enthalpy of Vaporization: 65.89 kJ/mol; (19)Boiling Point: 430 °C at 760 mmHg; (20)Vapour Pressure: 3.36E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccc(c1ccnn1)cc2
(2)InChI: InChI=1/C9H7N3O2/c13-12(14)8-3-1-7(2-4-8)9-5-6-10-11-9/h1-6H,(H,10,11)
(3)InChIKey: IPIYADCDDIUVPS-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H7N3O2/c13-12(14)8-3-1-7(2-4-8)9-5-6-10-11-9/h1-6H,(H,10,11)
(5)Std. InChIKey: IPIYADCDDIUVPS-UHFFFAOYSA-N

Product Name

3-(4-NITROPHENYL)PYRAZOLE

3-(4-Nitrophenyl)-1H-pyrazole Specification

Related Products

Hot Products