4-chloro-2,6-diphenylpyrimidine supplier

Name
4-chloro-2,6-diphenylpyrimidine
EINECS
CAS No. 29509-91-9
Article Data9
CAS DataBase
Density 1.221 g/cm³
Solubility
Melting Point 104-105℃
Formula C₁₆H₁₁ClN₂
Boiling Point 339.2 °C at 760 mmHg
Molecular Weight 266.73
Flash Point 189.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Chloro-2,4-diphenylpyrimidine;4-Chloro-2,6-diphenylpyrimidine;pyrimidine, 4-chloro-2,6-diphenyl-;
PSA 25.78000
LogP 4.46400

4-chloro-2,6-diphenylpyrimidine Specification

The 4-chloro-2,6-diphenylpyrimidine, with the CAS registry number 29509-91-9, has the systematic name of 4-chloro-2,6-diphenylpyrimidine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₆H₁₁ClN₂.

The characteristics of 4-chloro-2,6-diphenylpyrimidine are as followings: (1)ACD/LogP: 4.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.89; (4)ACD/LogD (pH 7.4): 4.89; (5)ACD/BCF (pH 5.5): 3058.51; (6)ACD/BCF (pH 7.4): 3058.51; (7)ACD/KOC (pH 5.5): 10877.34; (8)ACD/KOC (pH 7.4): 10877.34; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 25.78 Å²; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 76.51 cm³; (15)Molar Volume: 218.4 cm³; (16)Polarizability: 30.33×10^-24cm³; (17)Surface Tension: 49.1 dyne/cm; (18)Density: 1.221 g/cm³; (19)Flash Point: 189.4 °C; (20)Enthalpy of Vaporization: 55.95 kJ/mol; (21)Boiling Point: 339.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000184 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1nc(nc(c1)c2ccccc2)c3ccccc3
(2)InChI: InChI=1/C16H11ClN2/c17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13/h1-11H
(3)InChIKey: MJDDVTZXYXHTRY-UHFFFAOYAG

Product Name

4-chloro-2,6-diphenylpyrimidine

4-chloro-2,6-diphenylpyrimidine Specification

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