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Name |
Pyrimidine,2-chloro-4-(3-methoxyphenyl)- |
EINECS | N/A |
CAS No. | 499195-50-5 | Density | 1.246 g/cm3 |
PSA | 35.01000 | LogP | 2.80560 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H9ClN2O | Boiling Point | 393.704 °C at 760 mmHg |
Molecular Weight | 220.658 | Flash Point | 191.906 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-39 | Risk Codes | 22-37/38-41 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-(2-Chloropyrimidin-4-yl)-1-methoxybenzene; |
Article Data | 5 |
The Pyrimidine, 2-chloro-4-(3-methoxyphenyl)-, with the CAS registry number 499195-50-5, is also known as 3-(2-Chloropyrimidin-4-yl)-1-methoxybenzene. This chemical's molecular formula is C11H9ClN2O and molecular weight is 220.66. What's more, its systematic name is 2-Chloro-4-(3-methoxyphenyl)pyrimidine. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Pyrimidine, 2-chloro-4-(3-methoxyphenyl)- are: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 16; (6)ACD/BCF (pH 7.4): 16; (7)ACD/KOC (pH 5.5): 252; (8)ACD/KOC (pH 7.4): 252; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.01 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 58.601 cm3; (15)Molar Volume: 177.119 cm3; (16)Polarizability: 23.231×10-24 cm3; (17)Surface Tension: 46.079 dyne/cm; (18)Density: 1.246 g/cm3; (19)Flash Point: 191.906 °C; (20)Enthalpy of Vaporization: 61.85 kJ/mol; (21)Boiling Point: 393.704 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COc1cccc(c1)c2ccnc(n2)Cl
(2) InChI: InChI=1/C11H9ClN2O/c1-15-9-4-2-3-8(7-9)10-5-6-13-11(12)14-10/h2-7H,1H3
(3) InChIKey: QGUFGKFTAPDKHO-UHFFFAOYAZ