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Name |
4(3H)-Pyrimidinone, 2-chloro- |
EINECS | N/A |
CAS No. | 55873-09-1 | Density | 1.55 g/cm3 |
PSA | 46.01000 | LogP | 0.83560 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H3ClN2O | Boiling Point | 328.1 °C at 760 mmHg |
Molecular Weight | 130.534 | Flash Point | 152.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Chloro-4-hydroxypyrimidine;4(1H)-Pyrimidinone,2-chloro- (9CI); |
Article Data | 2 |
This chemical is called 4(3H)-Pyrimidinone, 2-chloro-, and its systematic name is 2-chloropyrimidin-4(3H)-one. With the molecular formula of C4H3ClN2O, its molecular weight is 130.53. The CAS registry number of this chemical is 55873-09-1. Additionally, its product category is Pyrimidine.
Other characteristics of the 4(3H)-Pyrimidinone, 2-chloro- can be summarised as followings: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.18; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 28.28; (7)ACD/KOC (pH 7.4): 3.01; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 41.46 Å2; (12)Index of Refraction: 1.632; (13)Molar Refractivity: 29.98 cm3; (14)Molar Volume: 84 cm3; (15)Polarizability: 11.88×10-24cm3; (16)Surface Tension: 54.1 dyne/cm; (17)Density: 1.55 g/cm3; (18)Flash Point: 152.3 °C; (19)Enthalpy of Vaporization: 59.32 kJ/mol; (20)Boiling Point: 328.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000101 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C1\C=C/N=C(/Cl)N1
2.InChI: InChI=1/C4H3ClN2O/c5-4-6-2-1-3(8)7-4/h1-2H,(H,6,7,8)
3.InChIKey: FETSYNXZMUAONO-UHFFFAOYAR