Pyrimidine, 4-chloro-6-(phenylmethoxy)- supplier

Name
4-BENZYLOXY-6-CHLOROPYRIMIDINE
EINECS
CAS No. 405930-65-6
Article Data4
CAS DataBase
Density 1.279 g/cm³
Solubility
Melting Point
Formula C₁₁H₉ClN₂O
Boiling Point 354.317 °C at 760 mmHg
Molecular Weight 220.658
Flash Point 168.085 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Chloro-6-benzyloxypyrimidine;
PSA 35.01000
LogP 2.70900

Pyrimidine, 4-chloro-6-(phenylmethoxy)- Specification

The Pyrimidine, 4-chloro-6-(phenylmethoxy)-, with the CAS registry number 405930-65-6, is also known as 4-Chloro-6-benzyloxypyrimidine. This chemical's molecular formula is C₁₁H₉ClN₂O and molecular weight is 220.65. What's more, its systematic name is 4-(Benzyloxy)-6-chloropyrimidine. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from oxidant.

Physical properties about Pyrimidine, 4-chloro-6-(phenylmethoxy)- are: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 154; (6)ACD/BCF (pH 7.4): 154; (7)ACD/KOC (pH 5.5): 1279; (8)ACD/KOC (pH 7.4): 1279; (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: 58.496 cm³; (15)Molar Volume: 172.536 cm³; (16)Polarizability: 23.19×10^-24 cm³; (17)Surface Tension: 50.638 dyne/cm; (18)Density: 1.279 g/cm³; (19)Flash Point: 168.085 °C; (20)Enthalpy of Vaporization: 57.57 kJ/mol; (21)Boiling Point: 354.317 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2cc(OCc1ccccc1)ncn2
(2) InChI: InChI=1/C11H9ClN2O/c12-10-6-11(14-8-13-10)15-7-9-4-2-1-3-5-9/h1-6,8H,7H2
(3) InChIKey: KXDXFVQZZGSEBU-UHFFFAOYAV

Product Name

4-BENZYLOXY-6-CHLOROPYRIMIDINE

Pyrimidine, 4-chloro-6-(phenylmethoxy)- Specification

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