Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4,6-Dichloro-5-nitro-2-(trifluoromethyl)pyrimidine |
EINECS | N/A |
CAS No. | 715-46-8 | Density | 1.805 g/cm3 |
PSA | 71.60000 | LogP | 3.23360 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5Cl2F3N3O2 | Boiling Point | 249.7 °C at 760 mmHg |
Molecular Weight | 261.97 | Flash Point | 104.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
IFLAB-BB F2124-0831;AKOS A0602-0707;Pyrimidine, 4,6-dichloro-5-nitro-2-(trifluoromethyl)-; |
Article Data | 5 |
This chemical is called 4,6-Dichloro-5-nitro-2-(trifluoromethyl)pyrimidine, and its CAS registry number is 715-46-8. With the molecular formula of C5Cl2F3N3O2, its molecular weight is 261.97.
Other characteristics of the 4,6-Dichloro-5-nitro-2-(trifluoromethyl)pyrimidine can be summarised as followings: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.23; (4)ACD/LogD (pH 7.4): 1.23; (5)ACD/BCF (pH 5.5): 5.07; (6)ACD/BCF (pH 7.4): 5.07; (7)ACD/KOC (pH 5.5): 111.18; (8)ACD/KOC (pH 7.4): 111.18; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 71.6 Å2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 43.75 cm3; (15)Molar Volume: 145.1 cm3; (16)Polarizability: 17.34×10-24cm3; (17)Surface Tension: 46.9 dyne/cm; (18)Density: 1.805 g/cm3; (19)Flash Point: 104.8 °C; (20)Enthalpy of Vaporization: 46.72 kJ/mol; (21)Boiling Point: 249.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0357 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1nc(nc(Cl)c1N(=O)=O)C(F)(F)F
2.InChI: InChI=1/C5Cl2F3N3O2/c6-2-1(13(14)15)3(7)12-4(11-2)5(8,9)10
3.InChIKey: YJCAJZCDJPUTJQ-UHFFFAOYAP