Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Chloro-3-methyl-4-nitro-1-phenyl-1H-pyrazole |
EINECS | N/A |
CAS No. | 13551-76-3 | Density | 1.43 g/cm3 |
PSA | 63.64000 | LogP | 3.26550 |
Solubility | N/A | Melting Point |
115 °C |
Formula | C10H8ClN3O2 | Boiling Point | 372.8 °C at 760 mmHg |
Molecular Weight | 237.645 | Flash Point | 179.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1H-Pyrazole, 5-chloro-3-methyl-4-nitro-1-phenyl-; |
Article Data | 5 |
This product is an organic compound with the formula C10H8ClN3O2. The systematic name of this chemical is 5-Chloro-3-methyl-4-nitro-1-phenyl-1H-pyrazole. With the CAS registry number 13551-76-3, it is also named as 1H-Pyrazole, 5-chloro-3-methyl-4-nitro-1-phenyl-. In addition, the molecular weight is 237.03.
Physical properties of 1H-Pyrazole, 5-chloro-3-methyl-4-nitro-1-phenyl- are: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 63.64 Å2; (7)Index of Refraction: 1.651; (8)Molar Refractivity: 60.61 cm3; (9)Molar Volume: 165.8 cm3; (10)Polarizability: 24.03×10-24cm3; (11)Surface Tension: 54.8 dyne/cm; (12)Density: 1.43 g/cm3; (13)Flash Point: 179.3 °C; (14)Enthalpy of Vaporization: 59.57 kJ/mol; (15)Boiling Point: 372.8 °C at 760 mmHg; (16)Vapour Pressure: 2.01E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2c(nn(c1ccccc1)c2Cl)C
(2)Std. InChI: InChI=1S/C10H8ClN3O2/c1-7-9(14(15)16)10(11)13(12-7)8-5-3-2-4-6-8/h2-6H,1H3
(3)Std. InChIKey:YYQDMDSWWOTGCX-UHFFFAOYSA-N