Basic Information | Post buying leads | Suppliers |
Name |
7-Bromo-2-(chloromethyl)-4H-pyrido[1,2-a]pyrimidin-4-one |
EINECS | N/A |
CAS No. | 442531-33-1 | Density | 1.76 g/cm3 |
PSA | 34.37000 | LogP | 2.19580 |
Solubility | N/A | Melting Point |
175℃ |
Formula | C9H6BrClN2O | Boiling Point | 322.8 °C at 760 mmHg |
Molecular Weight | 273.51 | Flash Point | 149 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4H-pyrido[1,2-a]pyrimidin-4-one, 7-bromo-2-(chloromethyl)-;7-Bromo-2-chloromethyl-pyrido[1,2-a]pyrimidin-4-one; |
The 7-Bromo-2-(chloromethyl)-4H-pyrido[1,2-a]pyrimidin-4-one, with the CAS registry number 442531-33-1, is also called 4H-pyrido[1,2-a]pyrimidin-4-one, 7-bromo-2-(chloromethyl)-. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H6BrClN2O.
The characteristics of 7-Bromo-2-(chloromethyl)-4H-pyrido[1,2-a]pyrimidin-4-one are as followings: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 32.67 Å2; (7)Index of Refraction: 1.684; (8)Molar Refractivity: 58.94 cm3; (9)Molar Volume: 155 cm3; (10)Polarizability: 23.36×10-24cm3; (11)Surface Tension: 55.9 dyne/cm; (12)Density: 1.76 g/cm3; (13)Flash Point: 149 °C; (14)Enthalpy of Vaporization: 56.47 kJ/mol; (15)Boiling Point: 322.8 °C at 760 mmHg; (16)Vapour Pressure: 0.000273 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: BrC=2\C=C/C1=N/C(=C\C(=O)N1C=2)CCl
(2)InChI: InChI=1/C9H6BrClN2O/c10-6-1-2-8-12-7(4-11)3-9(14)13(8)5-6/h1-3,5H,4H2
(3)InChIKey: HKULCEKJGGNDSO-UHFFFAOYAU