2,6-Dichloroquinazolin-4(3H)-one supplier

Name
2,6-dichloroquinazolin-4(3H)-one
EINECS
CAS No. 20197-87-9
Article Data9
CAS DataBase
Density 1.625 g/cm³
Solubility
Melting Point
Formula C₈H₄Cl₂N₂O
Boiling Point 260 °C at 760 mmHg
Molecular Weight 215.039
Flash Point 111 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4(3H)-Quinazolinone, 2,6-dichloro-;
PSA 45.75000
LogP 2.22990

2,6-Dichloroquinazolin-4(3H)-one Specification

The 2,6-Dichloroquinazolin-4(3H)-one, with the CAS registry number 20197-87-9, is also known as 4(3H)-Quinazolinone, 2,6-dichloro-. This chemical's molecular formula is C₈H₄Cl₂N₂O and molecular weight is 215.04. Its systematic name is called 2,6-dichloroquinazolin-4-ol.

Physical properties of 2,6-Dichloroquinazolin-4(3H)-one: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.76; (4)ACD/LogD (pH 7.4): 0.32; (5)ACD/BCF (pH 5.5): 11.61; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 177.61; (8)ACD/KOC (pH 7.4): 6.44; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.714; (13)Molar Refractivity: 51.94 cm³; (14)Molar Volume: 132.3 cm³; (15)Surface Tension: 72.5 dyne/cm; (16)Density: 1.625 g/cm³; (17)Flash Point: 111 °C; (18)Enthalpy of Vaporization: 51.77 kJ/mol; (19)Boiling Point: 260 °C at 760 mmHg; (20)Vapour Pressure: 0.00776 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc2nc(Cl)nc1ccc(Cl)cc12
(2)InChI: InChI=1/C8H4Cl2N2O/c9-4-1-2-6-5(3-4)7(13)12-8(10)11-6/h1-3H,(H,11,12,13)
(3)InChIKey: SHJZIBHISYWVLR-UHFFFAOYAP

Product Name

2,6-dichloroquinazolin-4(3H)-one

2,6-Dichloroquinazolin-4(3H)-one Specification

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