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CAS No.: | 27794-03-2 |
---|---|
Name: | 2-CHLORO-5-(4-METHOXYPHENYL)PYRIMIDINE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C11H9ClN2O |
Molecular Weight: | 220.658 |
Synonyms: | 2-Chloro-5-(4-methoxyphenyl)pyrimidine;Pyrimidine,2-chloro-5-(p-methoxyphenyl)- (8CI); |
Density: | 1.245 g/cm3 |
Melting Point: | 129 °C |
Boiling Point: | 403.1 °C at 760 mmHg |
Flash Point: | 197.6 °C |
Hazard Symbols: | Xi |
Risk Codes: | 22-37/38-41 |
Safety: | 26-39 |
PSA: | 35.01000 |
LogP: | 2.80560 |
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The Pyrimidine, 2-chloro-5-(4-methoxyphenyl)- has CAS registry number 27794-03-2. This chemical's molecular formula is C11H9ClN2O and molecular weight is 220.65. What's more, its IUPAC name is 2-Chloro-5-(4-methoxyphenyl)pyrimidine. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Pyrimidine, 2-chloro-5-(4-methoxyphenyl)- are: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 17.33; (6)ACD/BCF (pH 7.4): 17.33; (7)ACD/KOC (pH 5.5): 268.18; (8)ACD/KOC (pH 7.4): 268.18; (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: 1.575; (14)Molar Refractivity: 58.6 cm3; (15)Molar Volume: 177.1 cm3; (16)Polarizability: 23.23×10-24 cm3; (17)Surface Tension: 46 dyne/cm; (18)Density: 1.245 g/cm3; (19)Flash Point: 197.6 °C; (20)Enthalpy of Vaporization: 62.88 kJ/mol; (21)Boiling Point: 403.1 °C at 760 mmHg; (22)Vapour Pressure: 2.44E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc2ncc(c1ccc(OC)cc1)cn2
(2) InChI: InChI=1/C11H9ClN2O/c1-15-10-4-2-8(3-5-10)9-6-13-11(12)14-7-9/h2-7H,1H3
(3) InChIKey: XASJMEVESBZEOO-UHFFFAOYAA