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4-Benzyloxy-2-chloropyrimidine

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Name

4-Benzyloxy-2-chloropyrimidine

EINECS N/A
CAS No. 108381-28-8 Density 1.278g/cm3
PSA 35.01000 LogP 2.70900
Solubility N/A Melting Point N/A
Formula C11H9ClN2O Boiling Point 387 °C at 760 mmHg
Molecular Weight 220.658 Flash Point 187.9 °C
Transport Information N/A Appearance N/A
Safety 26-39 Risk Codes 22-37/38-41
Molecular Structure Molecular Structure of 108381-28-8 (4-BENZYLOXY-2-CHLOROPYRIMIDINE) Hazard Symbols Xn
Synonyms

4-(Benzyloxy)-2-chloropyrimidine;

Article Data 10

4-Benzyloxy-2-chloropyrimidine Specification

The 4-Benzyloxy-2-chloropyrimidine with the CAS number 108381-28-8 is also called Pyrimidine,2-chloro-4-(phenylmethoxy)-. Its molecular formula is C11H9ClN2O. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 17.27; (6)ACD/BCF (pH 7.4): 17.27; (7)ACD/KOC (pH 5.5): 267.5; (8)ACD/KOC (pH 7.4): 267.5; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.01 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 58.49 cm3; (15)Molar Volume: 172.5 cm3; (16)Polarizability: 23.18×10-24cm3; (17)Surface Tension: 50.6 dyne/cm; (18)Enthalpy of Vaporization: 61.12 kJ/mol; (19)Vapour Pressure: 7.57×10-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2nc(OCc1ccccc1)ccn2
(2)InChI: InChI=1/C11H9ClN2O/c12-11-13-7-6-10(14-11)15-8-9-4-2-1-3-5-9/h1-7H,8H2
(3)InChIKey: SNCGVIVLUWJDQN-UHFFFAOYAC

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