Name: 6-CHLORO-4-(2-CHLOROPHENYL)QUINAZOLINE-2-CARBALDEHYDE
SKU: 93955-15-8

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Basic Information

Molecular Structure:
CAS No.:	93955-15-8
Name:	6-CHLORO-4-(2-CHLOROPHENYL)QUINAZOLINE-2-CARBALDEHYDE

Formula:	C₁₅H₈Cl₂N₂O
Molecular Weight:	303.14
Synonyms:	6-Chloro-4-(2-chlorophenyl)-2-quinazolinecarboxaldehyde;6-Chloro-4-(o-chlorophenyl)-2-quinazolinecarboxaldehyde;2-Quinazolinecarboxaldehyde,6-chloro-4-(2-chlorophenyl)-;
Density:	1.438 g/cm³
Melting Point:	159 °C
Boiling Point:	482.001 °C at 760 mmHg
Flash Point:	245.306 °C
Hazard Symbols:	T,Xi
Risk Codes:	25-36
Safety:	26-45
PSA:	42.85000
LogP:	4.41610

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Specification

6-Chloro-4-(2-chlorophenyl)-2-quinazolinecarbaldehyde is an organic compound with the formula C₁₅H₈Cl₂N₂O, and its systematic name is the same with the product name. With the CAS registry number 93955-15-8, it is also named as 2-Quinazolinecarboxaldehyde,6-chloro-4-(2-chlorophenyl)-. It belongs to the product categories of Aromatics; Heterocycles; Impurities; Intermediates & Fine Chemicals; Pharmaceuticals. In addition, the molecular weight is 303.14.

Physical properties of 6-Chloro-4-(2-chlorophenyl)-2-quinazolinecarbaldehyde are: (1)ACD/LogP: 3.719; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.72; (4)ACD/LogD (pH 7.4): 3.72; (5)ACD/BCF (pH 5.5): 394.93; (6)ACD/BCF (pH 7.4): 394.93; (7)ACD/KOC (pH 5.5): 2513.02; (8)ACD/KOC (pH 7.4): 2513.02; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.85 Å²; (13)Index of Refraction: 1.699; (14)Molar Refractivity: 81.413 cm³; (15)Molar Volume: 210.849 cm³; (16)Polarizability: 32.275×10^-24cm³; (17)Surface Tension: 61.12 dyne/cm; (18)Density: 1.438 g/cm³; (19)Flash Point: 245.306 °C; (20)Enthalpy of Vaporization: 71.836 kJ/mol; (21)Boiling Point: 482.001 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1c3nc(nc2c3cc(Cl)cc2)C=O
(2)Std. InChI: InChI=1S/C15H8Cl2N2O/c16-9-5-6-13-11(7-9)15(19-14(8-20)18-13)10-3-1-2-4-12(10)17/h1-8H
(3)Std. InChIKey: VUUITUUENPOMIU-UHFFFAOYSA-N