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| CAS No.: | 124041-00-5 |
|---|---|
| Name: | 4-PHENOXY-6-CHLOROPYRIMIDINE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C10H7ClN2O |
| Molecular Weight: | 206.6284 |
| Synonyms: | 4-Chloro-6-phenoxypyrimidine;4-Phenoxy-6-chloropyrimidine;4-chloro-6-phenoxypyrimidine;pyrimidine, 4-chloro-6-phenoxy-; |
| Density: | 1.304 g/cm3 |
| Melting Point: | 33-35 °C(Solv: hexane (110-54-3)) |
| Boiling Point: | 317.884 °C at 760 mmHg |
| Flash Point: | 146.051 °C |
| PSA: | 35.01000 |
| LogP: | 2.92230 |
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- Total:24 Page 1 of 1 1
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Specification
The Pyrimidine,4-chloro-6-phenoxy-, with the CAS registry number 124041-00-5, has the systematic name of 4-chloro-6-phenoxypyrimidine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C10H7ClN2O.
The characteristics of Pyrimidine,4-chloro-6-phenoxy- are as followings: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 35.01 Å2; (7)Index of Refraction: 1.594; (8)Molar Refractivity: 53.774 cm3; (9)Molar Volume: 158.419 cm3; (10)Polarizability: 21.318×10-24cm3; (11)Surface Tension: 50.622 dyne/cm; (12)Density: 1.304 g/cm3; (13)Flash Point: 146.051 °C; (14)Enthalpy of Vaporization: 53.707 kJ/mol; (15)Boiling Point: 317.884 °C at 760 mmHg; (16)Vapour Pressure: 0.001 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc2ncnc(Oc1ccccc1)c2
(2)InChI: InChI=1/C10H7ClN2O/c11-9-6-10(13-7-12-9)14-8-4-2-1-3-5-8/h1-7H
(3)InChIKey: KHGWFZBIISKKRP-UHFFFAOYAF