4-Benzyloxy-2-chloropyrimidine supplier

Name
4-BENZYLOXY-2-CHLOROPYRIMIDINE
EINECS
CAS No. 108381-28-8
Article Data10
CAS DataBase
Density 1.278g/cm³
Solubility
Melting Point
Formula C₁₁H₉ClN₂O
Boiling Point 387 °C at 760 mmHg
Molecular Weight 220.658
Flash Point 187.9 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 22-37/38-41
Molecular Structure
Hazard Symbols Xn
Synonyms 4-(Benzyloxy)-2-chloropyrimidine;
PSA 35.01000
LogP 2.70900

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

Product Name

4-BENZYLOXY-2-CHLOROPYRIMIDINE

4-Benzyloxy-2-chloropyrimidine Specification

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