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Quinazoline,4,8-dichloro- (7148-34-7)

Identification
Name:Quinazoline,4,8-dichloro-
Synonyms:4,8-Dichloroquinazoline;NSC 61663;4,8-dichloro-quinazoline;
CAS:7148-34-7
Molecular Formula: C8H4Cl2N2
Molecular Weight: 199.04
InChI: InChI=1/C8H4Cl2N2/c9-6-3-1-2-5-7(6)11-4-12-8(5)10/h1-4H
Molecular Structure: (C8H4Cl2N2) 4,8-Dichloroquinazoline;NSC 61663;4,8-dichloro-quinazoline;
Properties
Density:1.486 g/cm3
Refractive index:1.67
Specification:

The 4,8-Dichloroquinazoline, with the cas registry number 7148-34-7, has the systematic name of 4,8-dichloro-quinazoline. It belongs to the product categories of Pharmacetical and Chiral chemicals. And the molecular formula of the chemical is C8H4Cl2N2.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 25.78 Å2; (7)Index of Refraction: 1.67; (8)Molar Refractivity: 50.06 cm3; (9)Molar Volume: 133.8 cm3; (10)Polarizability: 19.84×10-24cm3; (11)Surface Tension: 59 dyne/cm; (12)Density: 1.486 g/cm3; (13)Flash Point: 175.3 °C; (14)Enthalpy of Vaporization: 53.68 kJ/mol; (15)Boiling Point: 317.6 °C at 760 mmHg; (16)Vapour Pressure: 0.00071 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc2ncnc1c2cccc1Cl
(2)InChI: InChI=1/C8H4Cl2N2/c9-6-3-1-2-5-7(6)11-4-12-8(5)10/h1-4H
(3)InChIKey: LGRUYTZVYJCUTH-UHFFFAOYAF

Safety Data