Pyrimidine,2-chloro-4-propyl- supplier

Name
2-Chloro-4-propylpyrimidine
EINECS
CAS No. 111196-80-6
Density 1.141g/cm³
Solubility
Melting Point
Formula C₇H₉ClN₂
Boiling Point 263.6 °C at 760 mmHg
Molecular Weight 156.615
Flash Point 138.7 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 22-37/38-41
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Chloro-4-propylpyrimidine;
PSA 25.78000
LogP 2.08250

Pyrimidine,2-chloro-4-propyl- 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

Product Name

2-Chloro-4-propylpyrimidine

Pyrimidine,2-chloro-4-propyl- Specification

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