Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Chloro-5-fluoropyrimidine |
EINECS | N/A |
CAS No. | 347418-42-2 | Density | 1.44 g/cm3 |
PSA | 25.78000 | LogP | 1.26910 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H2ClFN2 | Boiling Point | 181.1 °C at 760 mmHg |
Molecular Weight | 132.525 | Flash Point | 63.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
4-Chloro-5-fluoropyrimidine; 4-Chloro-5-fluoro-1,3-diazine; 5-fluoro-4-chloropyrimidine; 4-Chloro-5-fluoro-pyrimidine; PYRIMIDINE,4-CHLORO-5-FLUORO; |
Article Data | 3 |
The IUPAC name of 4-Chloro-5-fluoropyrimidine is 4-chloro-5-fluoro-pyrimidine. With CAS registry number of 347418-42-2, it is also named Pyrimidine, 4-chloro-5-fluoro-. The product's categories are Pyrimidine; Pyrimidine Series; Building Blocks. In addition, its molecular formula is C4H2ClFN2 and molecular weight is 132.52.
The other characteristics of 4-Chloro-5-fluoropyrimidine can be summarized as: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): 0.88; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 25.78 Å2; (9)Index of Refraction: 1.505; (10)Molar Refractivity: 27.32 cm3; (11)Molar Volume: 92 cm3; (12)Polarizability: 10.83×10-24cm3; (13)Surface Tension: 45.1 dyne/cm; (14)Enthalpy of Vaporization: 40.03 kJ/mol; (15)Vapour Pressure: 1.18 mmHg at 25 °C; (16)Density: 1.439 g/cm3; (17)Boiling Point: 181.1 °C at 760 mmHg; (18)Flash Point: 63.3 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ncncc1F;
(2)InChI: InChI=1/C4H2ClFN2/c5-4-3(6)1-7-2-8-4/h1-2H;
(3)InChIKey: APSSAJKZELMQNM-UHFFFAOYAG;
(4)Std. InChI: InChI=1S/C4H2ClFN2/c5-4-3(6)1-7-2-8-4/h1-2H;
(5)Std. InChIKey: APSSAJKZELMQNM-UHFFFAOYSA-N