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Pyrimidine, 2-(chloromethyl)-4,6-dimethyl-

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Name

Pyrimidine, 2-(chloromethyl)-4,6-dimethyl-

EINECS N/A
CAS No. 74502-83-3 Density 1.15 g/cm3
PSA 25.78000 LogP 1.83220
Solubility N/A Melting Point 33 °C
Formula C7H9ClN2 Boiling Point 215.2 °C at 760 mmHg
Molecular Weight 156.615 Flash Point 104.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes 22
Molecular Structure Molecular Structure of 74502-83-3 (2-(CHLOROMETHYL)-4,6-DIMETHYLPYRIMIDINE) Hazard Symbols Xn
Synonyms

2-(Chloromethyl)-4,6-dimethylpyrimidine;

Article Data 4

Pyrimidine, 2-(chloromethyl)-4,6-dimethyl- Specification

The Pyrimidine, 2-(chloromethyl)-4, 6-dimethyl- has CAS registry number 74502-83-3. This chemical's molecular formula is C7H9ClN2 and molecular weight is 156.61. What's more, its systematic name is 2-(Chloromethyl)-4, 6-dimethylpyrimidine.

Physical properties about Pyrimidine, 2-(chloromethyl)-4, 6-dimethyl- are: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.1; (4)ACD/LogD (pH 7.4): 1.1; (5)ACD/BCF (pH 5.5): 4.05; (6)ACD/BCF (pH 7.4): 4.05; (7)ACD/KOC (pH 5.5): 94.76; (8)ACD/KOC (pH 7.4): 94.79; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 41.85 cm3; (15)Molar Volume: 136.1 cm3; (16)Polarizability: 16.59×10-24 cm3; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.15 g/cm3; (19)Flash Point: 104.3 °C; (20)Enthalpy of Vaporization: 43.31 kJ/mol; (21)Boiling Point: 215.2 °C at 760 mmHg; (22)Vapour Pressure: 0.219 mmHg at 25 °C.

Preparation of Pyrimidine, 2-(chloromethyl)-4, 6-dimethyl-: this chemical is prepared by (4, 6-Dimethyl-pyrimidin-2-yl)-methanol by heating. The reaction needs reagent POCl3 and solvent CHCl3. The reaction time is 3 hours. The yield is about 90 %.

The Pyrimidine, 2-(chloromethyl)-4, 6-dimethyl- can be obtained by (4, 6-Dimethyl-pyrimidin-2-yl)-methanol.

Uses of Pyrimidine, 2-(chloromethyl)-4, 6-dimethyl-: it is used to produce other chemicals. For example, it is used to produce 4, 6-Dimethyl-2-(2-propynyloxymethyl)pyrimidine by heating. The reaction needs reagent 80 % NaH and solvent Tetrahydrofuran. The reaction time is 3 hours. The yield is about 82 %.

Pyrimidine, 2-(chloromethyl)-4, 6-dimethyl- can react with Prop-2-yn-1-ol to get 4, 6-Dimethyl-2-(2-propynyloxymethyl)pyrimidine.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc(C)nc(CCl)n1
(2) InChI: InChI=1/C7H9ClN2/c1-5-3-6(2)10-7(4-8)9-5/h3H,4H2,1-2H3
(3) InChIKey: RVPRPXSYGUYDMT-UHFFFAOYAL

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