Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Pyrimidinamine, 5-bromo-2-chloro-N-phenyl- |
EINECS | N/A |
CAS No. | 280581-50-2 | Density | 1.673 g/cm3 |
PSA | 41.04000 | LogP | 3.05800 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H7BrClN3 | Boiling Point | 423.7 °C at 760 mmHg |
Molecular Weight | 284.543 | Flash Point | 210 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Bromo-2-chloro-N-phenyl-4-pyrimidinamine;4-anilino-5-broMo-2-chloropyriMidine |
Article Data | 5 |
The CAS registry number of 4-Pyrimidinamine, 5-bromo-2-chloro-N-phenyl- is 280581-50-2. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C10H7BrClN3 and molecular weight is 284.5397. What's more, its IUPAC name is 5-Bromo-2-chloro-N-phenylpyrimidin-4-amine.
Physical properties about 4-Pyrimidinamine, 5-bromo-2-chloro-N-phenyl- are: (1)ACD/LogP: 3.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.52; (4)ACD/LogD (pH 7.4): 3.52; (5)ACD/BCF (pH 5.5): 279.59; (6)ACD/BCF (pH 7.4): 279.59; (7)ACD/KOC (pH 5.5): 1962.55; (8)ACD/KOC (pH 7.4): 1962.55; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.02 Å2; (13)Index of Refraction: 1.681; (14)Molar Refractivity: 64.39 cm3; (15)Molar Volume: 170 cm3; (16)Polarizability: 25.52×10-24 cm3; (17)Surface Tension: 61 dyne/cm; (18)Density: 1.673 g/cm3; (19)Flash Point: 210 °C; (20)Enthalpy of Vaporization: 67.81 kJ/mol; (21)Boiling Point: 423.7 °C at 760 mmHg; (22)Vapour Pressure: 2.19E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc2nc(Nc1ccccc1)c(Br)cn2
(2) InChI: InChI=1/C10H7BrClN3/c11-8-6-13-10(12)15-9(8)14-7-4-2-1-3-5-7/h1-6H,(H,13,14,15)
(3) InChIKey: NKUZAJOBLJQQPW-UHFFFAOYAI