CAS No.23862-02-4,2-(CHLOROMETHYL)-6-METHYLPYRIMIDIN-4-OL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	23862-02-4
Name:	2-(CHLOROMETHYL)-6-METHYLPYRIMIDIN-4-OL
Article Data:	3

Formula:	C₆H₇ClN₂O
Molecular Weight:	158.587
Synonyms:	4(1H)-Pyrimidinone,2-(chloromethyl)-6-methyl- (9CI);4(3H)-Pyrimidinone,2-(chloromethyl)-6-methyl- (8CI);2-(Chloromethyl)-4-hydroxy-6-methylpyrimidine;2-(Chloromethyl)-6-methylpyrimidin-4(3H)-one;
Density:	1.37 g/cm³
Boiling Point:	242.8 °C at 760 mmHg
Flash Point:	100.6 °C
PSA:	46.01000
LogP:	1.22940

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Specification

The systematic name of 2-Chloromethyl-6-methylpyrimidin-4-ol is 2-(chloromethyl)-6-methylpyrimidin-4(1H)-one. With the CAS registry number 23862-02-4, it is also named as 4(3H)-Pyrimidinone,2-(chloromethyl)-6-methyl-. The product's category is Pyrimidine Series. In addition, its molecular formula is C₆H₇ClN₂O and its molecular weight is 158.59.

The other characteristics of 2-Chloromethyl-6-methylpyrimidin-4-ol can be summarized as: (1)ACD/LogP: 0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.05; (4)ACD/LogD (pH 7.4): 0.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.42; (8)ACD/KOC (pH 7.4): 23.51; (9)H bond acceptors: 3; (10)H bond donors: 1; (11)Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.67 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 39.01 cm³; (15)Molar Volume: 115.5 cm³; (16)Polarizability: 15.46×10^-24cm³; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.37 g/cm³; (19)Flash Point: 100.6 °C; (20)Enthalpy of Vaporization: 47.98 kJ/mol; (21)Boiling Point: 242.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0332 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C/1/N=C(\N\C(=C\1)C)CCl
(2)InChI:InChI=1/C6H7ClN2O/c1-4-2-6(10)9-5(3-7)8-4/h2H,3H2,1H3,(H,8,9,10)
(3)InChIKey:KLGVEJTYDFQICE-UHFFFAOYAN
(4)Std. InChI:InChI=1S/C6H7ClN2O/c1-4-2-6(10)9-5(3-7)8-4/h2H,3H2,1H3,(H,8,9,10)
(5)Std. InChIKey:KLGVEJTYDFQICE-UHFFFAOYSA-N