6-(Chloromethyl)-2-phenylpyrimidin-4-ol supplier

Name
6-(Chloromethyl)-2-phenylpyrimidin-4-ol
EINECS 604-604-1
CAS No. 35252-98-3
Density 1.3 g/cm³
Solubility
Melting Point 196-199 °C
Formula C₁₁H₉ClN₂O
Boiling Point 345.8 °C at 760 mmHg
Molecular Weight 220.658
Flash Point 162.9 °C
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Hazard Symbols
Synonyms 4(1H)-Pyrimidinone,6-(chloromethyl)-2-phenyl- (9CI);6-(Chloromethyl)-2-phenylpyrimidin-4-ol;6-(Chloromethyl)-2-phenyl-4(1H)-pyrimidinone;
PSA 46.01000
LogP 2.58800

6-(Chloromethyl)-2-phenylpyrimidin-4-ol Specification

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

Product Name

6-(Chloromethyl)-2-phenylpyrimidin-4-ol

6-(Chloromethyl)-2-phenylpyrimidin-4-ol Specification

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