| Identification | |
| Name: | 5-Pyrimidinamine,4-chloro- |
| Synonyms: | Pyrimidine,5-amino-4-chloro- (6CI);4-chloropyrimidin-5-aminato;4-Chloropyrimidin-5-amine; |
| CAS: | 54660-78-5 |
| Molecular Formula: | C4H4ClN3 |
| Molecular Weight: | 129.55 |
| InChI: | InChI=1/C4H4ClN3/c5-4-3(6)1-7-2-8-4/h1-2H,6H2 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.437 g/cm3 |
| Refractive index: | 1.617 |
| Specification: |
The 5-Amino-4-chloropyrimidine, with the CAS registry number 54660-78-5, has the systematic name of 4-chloropyrimidin-5-aminato. It belongs to the product category of Pyrimidine. And the molecular formula of the chemical is C4H4ClN3. The characteristics of this chemical are as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 13.83; (5)ACD/KOC (pH 7.4): 13.84; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 51.8 Å2; (10)Index of Refraction: 1.617; (11)Molar Refractivity: 31.56 cm3; (12)Molar Volume: 90.1 cm3; (13)Polarizability: 12.51×10-24cm3; (14)Surface Tension: 66.4 dyne/cm; (15)Density: 1.437 g/cm3; (16)Flash Point: 107.3 °C; (17)Enthalpy of Vaporization: 49.12 kJ/mol; (18)Boiling Point: 253.8 °C at 760 mmHg; (19)Vapour Pressure: 0.0179 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
| Safety Data | |
 |
|
