Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Propanedial,2-(4-pyrimidinyl)- |
EINECS | N/A |
CAS No. | 28648-78-4 | Density | 1.244 g/cm3 |
PSA | 59.92000 | LogP | -0.04200 |
Solubility | N/A | Melting Point |
227-232 °C |
Formula | C7H6N2O2 | Boiling Point | 269.9 °C at 760 mmHg |
Molecular Weight | 150.137 | Flash Point | 121.1 °C |
Transport Information | N/A | Appearance | beige to beige-brownish powder |
Safety | 45-36/37/39-25 | Risk Codes | 34 |
Molecular Structure | Hazard Symbols | C; Xi | |
Synonyms |
4-Pyrimidinemalonaldehyde(7CI,8CI);Propanedial, 4-pyrimidinyl- (9CI);pyrimidin-4-ylpropanedial;4-pyrimidinylmalonaldehyde;propanedial, 2-(4-pyrimidinyl)-; |
Article Data | 3 |
The Propanedial,2-(4-pyrimidinyl)-, with the CAS registry number 28648-78-4, has the systematic name of pyrimidin-4-ylpropanedial. It is a kind of beige to beige-brownish powder, and belongs to the product category of Pyrimidin. And the molecular formula of the chemical is C7H6N2O2.
The characteristics of Propanedial,2-(4-pyrimidinyl)- are as followings: (1)ACD/LogP: -0.65; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 59.92 Å2; (7)Index of Refraction: 1.525; (8)Molar Refractivity: 36.99 cm3; (9)Molar Volume: 120.5 cm3; (10)Polarizability: 14.66×10-24cm3; (11)Surface Tension: 54.9 dyne/cm; (12)Density: 1.244 g/cm3; (13)Flash Point: 121.1 °C; (14)Enthalpy of Vaporization: 50.81 kJ/mol; (15)Boiling Point: 269.9 °C at 760 mmHg; (16)Vapour Pressure: 0.00705 mmHg at 25°C.
You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=CC(c1ncncc1)C=O
(2)InChI: InChI=1/C7H6N2O2/c10-3-6(4-11)7-1-2-8-5-9-7/h1-6H
(3)InChIKey: BQJUGEYYDDLNKB-UHFFFAOYAG