Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4,6-Dichloro-5-pyrimidineacetaldehyde |
EINECS | N/A |
CAS No. | 16019-33-3 | Density | 1.47 g/cm3 |
PSA | 42.85000 | LogP | 1.52480 |
Solubility | N/A | Melting Point |
89-91 °C(Solv: dichloromethane (75-09-2); heptane (142-82-5)) |
Formula | C6H4Cl2N2O | Boiling Point | 312.714 °C at 760 mmHg |
Molecular Weight | 191.017 | Flash Point | 142.924 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(4,6-Dichloro-5-pyrimidinyl)acetaldehyde;(4,6-Dichloro-pyrimidin-5-yl)-acetaldehyde;4,6-Dichloro-5-pyrimidineacetaldehyde;5-Acetaldehydeyl-4,6-dichloropyrimidine; |
Article Data | 20 |
The systematic name of 4,6-Dichloro-5-pyrimidineacetaldehyde is 2-(4,6-dichloropyrimidin-5-yl)acetaldehyde. With the CAS registry number 16019-33-3, it is also named as 5-Acetaldehydeyl-4,6-dichloropyrimidine. In addition, its molecular formula is C6H4Cl2N2O and its molecular weight is 191.01.
The other characteristics of 4,6-Dichloro-5-pyrimidineacetaldehyde can be summarized as: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 0.85; (5)H bond acceptors: 3; (6)H bond donors: 0; (7)Freely Rotating Bonds: 2; (8)Polar Surface Area: 42.85 Å2; (9)Index of Refraction: 1.559; (10)Molar Refractivity: 41.96 cm3; (11)Molar Volume: 129.9 cm3; (12)Polarizability: 16.63×10-24cm3; (13)Surface Tension: 54.3 dyne/cm; (14)Density: 1.47 g/cm3; (15)Flash Point: 142.9 °C; (16)Enthalpy of Vaporization: 55.37 kJ/mol; (17)Boiling Point: 312.7 °C at 760 mmHg; (18)Vapour Pressure: 0.00052 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:c1nc(c(c(n1)Cl)CC=O)Cl
(2)InChI:InChI=1/C6H4Cl2N2O/c7-5-4(1-2-11)6(8)10-3-9-5/h2-3H,1H2
(3)InChIKey:QEBITPOSBYZLCY-UHFFFAOYAL
(4)Std. InChI:InChI=1S/C6H4Cl2N2O/c7-5-4(1-2-11)6(8)10-3-9-5/h2-3H,1H2
(5)Std. InChIKey:QEBITPOSBYZLCY-UHFFFAOYSA-N