Basic Information | Post buying leads | Suppliers |
Name |
6-(Chloromethyl)-2-phenylpyrimidin-4-ol |
EINECS | 604-604-1 |
CAS No. | 35252-98-3 | Density | 1.3 g/cm3 |
PSA | 46.01000 | LogP | 2.58800 |
Solubility | N/A | Melting Point |
196-199 °C |
Formula | C11H9ClN2O | Boiling Point | 345.8 °C at 760 mmHg |
Molecular Weight | 220.658 | Flash Point | 162.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4(1H)-Pyrimidinone,6-(chloromethyl)-2-phenyl- (9CI);6-(Chloromethyl)-2-phenylpyrimidin-4-ol;6-(Chloromethyl)-2-phenyl-4(1H)-pyrimidinone; |
The systematic name of 6-(Chloromethyl)-2-phenylpyrimidin-4-ol is 6-(chloromethyl)-2-phenylpyrimidin-4(1H)-one. With the CAS registry number 35252-98-3, it is also named as 4(3H)-Pyrimidinone,6-(chloromethyl)-2-phenyl-. The product's category is Pyrimidine Series. In addition, its molecular formula is C11H9ClN2O and molecular weight is 220.65.
The other characteristics of 6-(Chloromethyl)-2-phenylpyrimidin-4-ol can be summarized as: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.73; (4)ACD/LogD (pH 7.4): 1.54; (5)ACD/BCF (pH 5.5): 12.09; (6)ACD/BCF (pH 7.4): 7.79; (7)ACD/KOC (pH 5.5): 206.79; (8)ACD/KOC (pH 7.4): 133.3; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.67 Å2; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 59.7 cm3; (15)Molar Volume: 168.6 cm3; (16)Polarizability: 23.66×10-24cm3; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.3 g/cm3; (19)Flash Point: 162.9 °C; (20)Melting Point: 196-199 °C; (21)Enthalpy of Vaporization: 58.99 kJ/mol; (22)Boiling Point: 345.8 °C at 760 mmHg; (23)Vapour Pressure: 6.02E-05 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: ClCC=1N\C(=N/C(=O)C=1)c2ccccc2
(2)InChI: InChI=1/C11H9ClN2O/c12-7-9-6-10(15)14-11(13-9)8-4-2-1-3-5-8/h1-6H,7H2,(H,13,14,15)
(3)InChIKey: BFGHBQQZXUJZNO-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C11H9ClN2O/c12-7-9-6-10(15)14-11(13-9)8-4-2-1-3-5-8/h1-6H,7H2,(H,13,14,15)
(5)Std. InChIKey: BFGHBQQZXUJZNO-UHFFFAOYSA-N