Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Methyl-1-(4-nitrophenyl)-1H-pyrazole |
EINECS | N/A |
CAS No. | 13788-99-3 | Density | 1.298 g/cm3 |
PSA | 63.64000 | LogP | 2.61210 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H9N3O2 | Boiling Point | 344.291 °C at 760 mmHg |
Molecular Weight | 203.1974 | Flash Point | 162.022 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-methyl-1-(4-nitro-phenyl)-pyrazole;5-methyl-1-(4-nitro-phenyl)-1H-pyrazole;1-(p-Nitrophenyl)-5-methylpyrazol;1-<4-Nitro-phenyl>-5-methyl-pyrazol;5-Methyl-1(p-nitrophenyl)pyrazol; |
Article Data | 1 |
The CAS registry number of the 5-Methyl-1-(4-nitrophenyl)-1H-pyrazole is 13788-99-3. This chemical's molecular formula is C10H9N3O2 and molecular weight is 203.1974. What's more, its systematic name is 5-Methyl-1-(4-nitrophenyl)-1H-pyrazole.
Physical properties about 5-Methyl-1-(4-nitrophenyl)-1H-pyrazole are: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 68; (6)ACD/BCF (pH 7.4): 68; (7)ACD/KOC (pH 5.5): 710; (8)ACD/KOC (pH 7.4): 710; (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: 1.634; (14)Molar Refractivity: 56.016 cm3; (15)Molar Volume: 156.56 cm3; (16)Polarizability: 22.206×10-24 cm3; (17)Surface Tension: 53.127 dyne/cm; (18)Density: 1.298 g/cm3; (19)Flash Point: 162.022 °C; (20)Enthalpy of Vaporization: 56.497 kJ/mol; (21)Boiling Point: 344.291 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc(cc1)n2nccc2C
(2) InChI: InChI=1/C10H9N3O2/c1-8-6-7-11-12(8)9-2-4-10(5-3-9)13(14)15/h2-7H,1H3
(3) InChIKey: BKPVGIAXVCFLSN-UHFFFAOYAZ