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Name |
Pyrimidine, 4-chloro-6-(phenylmethoxy)- |
EINECS | N/A |
CAS No. | 405930-65-6 | Density | 1.279 g/cm3 |
PSA | 35.01000 | LogP | 2.70900 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H9ClN2O | Boiling Point | 354.317 °C at 760 mmHg |
Molecular Weight | 220.658 | Flash Point | 168.085 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Chloro-6-benzyloxypyrimidine; |
Article Data | 4 |
The Pyrimidine, 4-chloro-6-(phenylmethoxy)-, with the CAS registry number 405930-65-6, is also known as 4-Chloro-6-benzyloxypyrimidine. This chemical's molecular formula is C11H9ClN2O and molecular weight is 220.65. What's more, its systematic name is 4-(Benzyloxy)-6-chloropyrimidine. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from oxidant.
Physical properties about Pyrimidine, 4-chloro-6-(phenylmethoxy)- are: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 154; (6)ACD/BCF (pH 7.4): 154; (7)ACD/KOC (pH 5.5): 1279; (8)ACD/KOC (pH 7.4): 1279; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.01 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 58.496 cm3; (15)Molar Volume: 172.536 cm3; (16)Polarizability: 23.19×10-24 cm3; (17)Surface Tension: 50.638 dyne/cm; (18)Density: 1.279 g/cm3; (19)Flash Point: 168.085 °C; (20)Enthalpy of Vaporization: 57.57 kJ/mol; (21)Boiling Point: 354.317 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc2cc(OCc1ccccc1)ncn2
(2) InChI: InChI=1/C11H9ClN2O/c12-10-6-11(14-8-13-10)15-7-9-4-2-1-3-5-9/h1-6,8H,7H2
(3) InChIKey: KXDXFVQZZGSEBU-UHFFFAOYAV