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111196-80-6

Basic Information
CAS No.: 111196-80-6
Name: 2-Chloro-4-propylpyrimidine
Molecular Structure:
Molecular Structure of 111196-80-6 (2-Chloro-4-propylpyrimidine)
Formula: C7H9ClN2
Molecular Weight: 156.615
Synonyms: 2-Chloro-4-propylpyrimidine;
Density: 1.141g/cm3
Boiling Point: 263.6 °C at 760 mmHg
Flash Point: 138.7 °C
Hazard Symbols: IrritantXi
Risk Codes: 22-37/38-41
Safety: 26-39
PSA: 25.78000
LogP: 2.08250
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Specification

The Pyrimidine,2-chloro-4-propyl-, with CAS registry number 111196-80-6, belongs to the following product category: Blocks. It has the systematic name of 2-chloro-4-propyl-pyrimidine. And the chemical formula of this chemical is C7H9ClN2.

Physical properties of Pyrimidine,2-chloro-4-propyl-: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.88; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 25.78 Å2; (9)Index of Refraction: 1.517; (10)Molar Refractivity: 41.51 cm3; (11)Molar Volume: 137.1 cm3; (12)Polarizability: 16.45×10-24cm3; (13)Surface Tension: 41.3 dyne/cm; (14)Density: 1.141 g/cm3; (15)Flash Point: 138.7 °C; (16)Enthalpy of Vaporization: 48.12 kJ/mol; (17)Boiling Point: 263.6 °C at 760 mmHg; (18)Vapour Pressure: 0.0166 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(CCC)ccn1
(2)InChI: InChI=1/C7H9ClN2/c1-2-3-6-4-5-9-7(8)10-6/h4-5H,2-3H2,1H3
(3)InChIKey: CGLUHKKJYQSSEX-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C7H9ClN2/c1-2-3-6-4-5-9-7(8)10-6/h4-5H,2-3H2,1H3
(5)Std. InChIKey: CGLUHKKJYQSSEX-UHFFFAOYSA-N